| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: [1-[(1R,2S)-2-amino-1-(5-bromo-2-thienyl)propyl]-4-piperidyl]methanol [1-[(1R,2S)-2-amino-1-(5-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) | 2.10 | 2.31 | -45.64 | 4 | 3 | 1 | 51 | 334.303 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 3.71 | -33.24 | 4 | 3 | 1 | 51 | 334.303 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 1.87 | -3.16 | 3 | 3 | 0 | 49 | 333.295 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 3.96 | -120.02 | 5 | 3 | 2 | 52 | 335.311 | 4 | ↓ |
