Chemoinformaics analysis of L-Histidine
Molecular Weight | 155.157 | nRot | 3 |
Heavy Atom Molecular Weight | 146.085 | nRig | 6 |
Exact Molecular Weight | 155.069 | nRing | 1 |
Solubility: LogS | -0.875 | nHRing | 1 |
Solubility: LogP | -3.186 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 20 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 5 |
No. of Oxygen atom | 2 | No. of Arom Bond | 5 |
nHA | 3 | APOL | 20.9251 |
nHD | 3 | BPOL | 11.0369 |
QED | 0.541 |
Synth | 3.192 |
Natural Product Likeliness | 0.446 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.067 |
HIA | 0.014 |
CACO-2 | -5.56 |
MDCK | 0.0000208 |
BBB | 0.86 |
PPB | 0.0825842 |
VDSS | 0.486 |
FU | 0.967134 |
CYP1A2-inh | 0.012 |
CYP1A2-sub | 0.123 |
CYP2c19-inh | 0.046 |
CYP2c19-sub | 0.059 |
CYP2c9-inh | 0.013 |
CYP2c9-sub | 0.59 |
CYP2d6-inh | 0.018 |
CYP2d6-sub | 0.054 |
CYP3a4-inh | 0.057 |
CYP3a4-sub | 0.044 |
CL | 9.116 |
T12 | 0.886 |
hERG | 0.07 |
Ames | 0.017 |
ROA | 0.164 |
SkinSen | 0.815 |
Carcinogencity | 0.018 |
EI | 0.086 |
Respiratory | 0.098 |
NR-Aromatase | 0.008 |
Antiviral | No |
Prediction | 0.882336 |