| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2008 | 23 | No |
Popular Name: 2-butenoic acid, 4-[[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]amino]-4-oxo- 2-butenoic acid, 4-[[3-[(hexahyd…
None
| 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) | 1.24 | 6.53 | -61.4 | 1 | 6 | -1 | 90 | 315.349 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
