| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 21st, 2011 | 24 | Yes |
Popular Name: 1H-azepine-1-acetamide, N-[3-[(butylamino)carbonyl]phenyl]hexahydro- 1H-azepine-1-acetamide, N-[3-[(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) | 3.53 | 7.98 | -46.59 | 3 | 5 | 1 | 63 | 332.468 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 7.01 | -34.47 | 2 | 5 | 0 | 69 | 331.46 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
