In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2009 | 18 | Yes |
Popular Name: (3S)-3-[(3,5-dichlorophenyl)methylamino]azepan-2-one (3S)-3-[(3,5-dichlorophenyl)meth…
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) | 2.78 | 6.03 | -47.42 | 3 | 3 | 1 | 46 | 288.198 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 5.68 | -7.2 | 2 | 3 | 0 | 41 | 287.19 | 3 | ↓ |