| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-1-(azepan-1-yl)-1-(5-chloro-2-thienyl)propan-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) | 3.24 | 5.61 | -44.82 | 3 | 2 | 1 | 31 | 273.853 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 6.78 | -31.01 | 3 | 2 | 1 | 30 | 273.853 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 5.28 | -1.15 | 2 | 2 | 0 | 29 | 272.845 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.24 | 7.04 | -118.29 | 4 | 2 | 2 | 32 | 274.861 | 3 | ↓ |
