| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 19 | Yes |
Popular Name: 4-[(1R,2S)-2-amino-1-(4-chlorophenyl)butyl]piperazin-2-one 4-[(1R,2S)-2-amino-1-(4-chloroph…
| 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) | 1.81 | 2.73 | -47.17 | 4 | 4 | 1 | 60 | 282.795 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 4.4 | -134.58 | 5 | 4 | 2 | 61 | 283.803 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 4.08 | -46.61 | 4 | 4 | 1 | 60 | 282.795 | 4 | ↓ |
