| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 35 | No |
Popular Name: (3S)-3-benzyl-5-cyclohexyl-1-[(4-nitrophenyl)methyl]-3H-1,4-benzodiazepin-2-one (3S)-3-benzyl-5-cyclohexyl-1-[(4…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 6.52 | 15.65 | -13.99 | 0 | 6 | 0 | 78 | 467.569 | 6 | ↓ |
| Mid Mid (pH 6-8) | 6.52 | 16.3 | -39.31 | 1 | 6 | 1 | 80 | 468.577 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
