| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: 4-[(1R,2S)-2-amino-1-(5-chloro-2-thienyl)butyl]piperazin-2-one 4-[(1R,2S)-2-amino-1-(5-chloro-2…
| 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) | 1.84 | 1.17 | -53.85 | 4 | 4 | 1 | 60 | 288.824 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 0.89 | -7.13 | 3 | 4 | 0 | 58 | 287.816 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 3.12 | -46.56 | 4 | 4 | 1 | 60 | 288.824 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 3.4 | -135.5 | 5 | 4 | 2 | 61 | 289.832 | 4 | ↓ |
