| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: [(3S)-1-[(1S,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]-3-piperidyl]methanol [(3S)-1-[(1S,2R)-2-amino-1-(5-br…
| 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) | 2.64 | 3.09 | -48.56 | 4 | 3 | 1 | 51 | 348.33 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 2.03 | -2.99 | 3 | 3 | 0 | 49 | 347.322 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 4.46 | -34.56 | 4 | 3 | 1 | 51 | 348.33 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 4.79 | -123.33 | 5 | 3 | 2 | 52 | 349.338 | 5 | ↓ |
