| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 18 | Yes |
Popular Name: [(3S)-1-[(1S,2S)-2-amino-1-(4-bromo-2-thienyl)propyl]-3-piperidyl]methanol [(3S)-1-[(1S,2S)-2-amino-1-(4-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) | 1.91 | 1.54 | -44.31 | 4 | 3 | 1 | 51 | 334.303 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 3.76 | -35.95 | 4 | 3 | 1 | 51 | 334.303 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 1.25 | -3.56 | 3 | 3 | 0 | 49 | 333.295 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 4.1 | -120.55 | 5 | 3 | 2 | 52 | 335.311 | 4 | ↓ |
