| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 2-[1-[(1S,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]-4-piperidyl]acetamide 2-[1-[(1S,2R)-2-amino-1-(5-bromo…
| 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) | 2.46 | 3.12 | -50.3 | 5 | 4 | 1 | 74 | 375.356 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 2.91 | -8.54 | 4 | 4 | 0 | 72 | 374.348 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 4.57 | -37.35 | 5 | 4 | 1 | 74 | 375.356 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 4.9 | -123.7 | 6 | 4 | 2 | 75 | 376.364 | 6 | ↓ |
