| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | No |
Popular Name: (1S,2R)-1-(3-methyl-2-thienyl)-1-(1,4-thiazepan-4-yl)propan-2-amine (1S,2R)-1-(3-methyl-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) | 2.06 | 5.47 | -44.34 | 3 | 2 | 1 | 31 | 271.475 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 4.62 | -2.29 | 2 | 2 | 0 | 29 | 270.467 | 3 | ↓ |
