| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | No |
Popular Name: (1S,2R)-1-(5-chloro-2-thienyl)-1-(1,4-thiazepan-4-yl)butan-2-amine (1S,2R)-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) | 3.02 | 6.35 | -48.3 | 3 | 2 | 1 | 31 | 305.92 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 6.03 | -1.52 | 2 | 2 | 0 | 29 | 304.912 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.02 | 7.83 | -121.84 | 4 | 2 | 2 | 32 | 306.928 | 4 | ↓ |
