| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | No |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-1-(1,4-thiazepan-4-yl)butan-2-amine (1S,2R)-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) | 3.16 | 6.46 | -48.46 | 3 | 2 | 1 | 31 | 350.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 6.13 | -1.54 | 2 | 2 | 0 | 29 | 349.363 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 7.94 | -122.28 | 4 | 2 | 2 | 32 | 351.379 | 4 | ↓ |
