| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1-(5-bromo-2-thienyl)-1-[(3S)-3-ethoxy-1-piperidyl]butan-2-amine (1S,2S)-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) | 3.25 | 7.36 | -34.49 | 3 | 3 | 1 | 40 | 362.357 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 5.2 | -45.02 | 3 | 3 | 1 | 40 | 362.357 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 4.89 | -2.31 | 2 | 3 | 0 | 38 | 361.349 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 7.68 | -117.48 | 4 | 3 | 2 | 41 | 363.365 | 6 | ↓ |
