| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 23 | Yes |
Popular Name: (3S)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-5-methyl-hexanenitrile (3S)-3-(4-benzyl-7-oxo-1,4-diaze…
| 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) | 2.32 | 11.6 | -43.82 | 1 | 4 | 1 | 49 | 314.453 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 9.51 | -8.39 | 0 | 4 | 0 | 47 | 313.445 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
