| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 19 | Yes |
Popular Name: 2-[(2R)-1-[(1R,2R)-2-amino-1-(4-bromo-2-thienyl)propyl]-2-piperidyl]ethanol 2-[(2R)-1-[(1R,2R)-2-amino-1-(4-…
| 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) | 2.30 | 2.03 | -42.35 | 4 | 3 | 1 | 51 | 348.33 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 3.46 | -32.72 | 4 | 3 | 1 | 51 | 348.33 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 1.71 | -3.5 | 3 | 3 | 0 | 49 | 347.322 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.30 | 3.78 | -112.22 | 5 | 3 | 2 | 52 | 349.338 | 5 | ↓ |
