| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 18 | Yes |
Popular Name: 4-[(1S,2R)-2-amino-1-(4-bromo-2-thienyl)butyl]piperazin-2-one 4-[(1S,2R)-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) | 1.77 | 1.59 | -50.33 | 4 | 4 | 1 | 60 | 333.275 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 1.32 | -6.63 | 3 | 4 | 0 | 58 | 332.267 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 3.07 | -41.02 | 4 | 4 | 1 | 60 | 333.275 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 3.39 | -126.92 | 5 | 4 | 2 | 61 | 334.283 | 4 | ↓ |
