| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1-(5-chloro-2-thienyl)-1-(4-ethoxy-1-piperidyl)butan-2-amine (1S,2S)-1-(5-chloro-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) | 2.38 | 5.59 | -39.23 | 3 | 3 | 1 | 40 | 317.906 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 5.22 | -2.29 | 2 | 3 | 0 | 38 | 316.898 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 7.59 | -119.99 | 4 | 3 | 2 | 41 | 318.914 | 6 | ↓ |
