| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-1-(azepan-1-yl)-1-(4-chlorophenyl)propan-2-amine (1R,2S)-1-(azepan-1-yl)-1-(4-chl…
| 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) | 3.22 | 8.16 | -124.22 | 4 | 2 | 2 | 32 | 268.832 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 7.92 | -34.67 | 3 | 2 | 1 | 30 | 267.824 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 5.96 | -45.73 | 3 | 2 | 1 | 31 | 267.824 | 3 | ↓ |
