| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2011 | 22 | Yes |
Popular Name: 4-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)benzonitrile 4-(1-methyl-3,5-dihydro-2H-1,4-b…
| 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) | 1.97 | 9.32 | -10.56 | 0 | 4 | 0 | 47 | 291.354 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 9.3 | -49.02 | 1 | 4 | 1 | 49 | 292.362 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
