| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-1-(azepan-1-yl)-1-(5-chloro-2-thienyl)butan-2-amine (1S,2R)-1-(azepan-1-yl)-1-(5-chl…
| 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) | 3.78 | 6.51 | -44.08 | 3 | 2 | 1 | 31 | 287.88 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 6.21 | -0.97 | 2 | 2 | 0 | 29 | 286.872 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 7.6 | -33.41 | 3 | 2 | 1 | 30 | 287.88 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 7.91 | -117.94 | 4 | 2 | 2 | 32 | 288.888 | 4 | ↓ |
