| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-1-[(3S)-3-ethoxy-1-piperidyl]propan-2-amine (1R,2R)-1-(5-bromo-2-thienyl)-1-…
| 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) | 2.71 | 6.59 | -35.48 | 3 | 3 | 1 | 40 | 348.33 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 4.57 | -3.15 | 2 | 3 | 0 | 38 | 347.322 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 6.91 | -120.15 | 4 | 3 | 2 | 41 | 349.338 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 4.95 | -41.42 | 3 | 3 | 1 | 40 | 348.33 | 5 | ↓ |
