| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 17 | Yes |
Popular Name: 4-[(1R,2S)-2-amino-1-(4-bromo-2-thienyl)propyl]piperazin-2-one 4-[(1R,2S)-2-amino-1-(4-bromo-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) | 1.24 | 0.76 | -48.7 | 4 | 4 | 1 | 60 | 319.248 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 0.15 | -7.45 | 3 | 4 | 0 | 58 | 318.24 | 3 | ↓ |
