| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2010 | 28 | Yes |
Popular Name: (3S)-3-[[2-(4-hydroxy-1-piperidyl)-7-methyl-3-quinolyl]methylamino]azepan-2-one (3S)-3-[[2-(4-hydroxy-1-piperidy…
| 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) | 1.32 | 6.44 | -33.69 | 4 | 6 | 1 | 79 | 383.516 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 5.98 | -12.83 | 3 | 6 | 0 | 77 | 382.508 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 6.52 | -107.12 | 5 | 6 | 2 | 83 | 384.524 | 4 | ↓ |
