| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 18 | Yes |
Popular Name: 3-[[[(1R)-1-(5-chloro-2-thienyl)ethyl]amino]methyl]benzonitrile 3-[[[(1R)-1-(5-chloro-2-thienyl)…
| 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) | 3.89 | 8.96 | -53.08 | 2 | 2 | 1 | 40 | 277.8 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 7.66 | -6.57 | 1 | 2 | 0 | 36 | 276.792 | 4 | ↓ |
