| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 17 | Yes |
Popular Name: (1S,2R)-2-[methyl(3-thienylmethyl)amino]cycloheptanecarbonitrile (1S,2R)-2-[methyl(3-thienylmethy…
| 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) | 3.39 | 8.68 | -46.04 | 1 | 2 | 1 | 28 | 249.403 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 6.69 | -8.46 | 0 | 2 | 0 | 27 | 248.395 | 3 | ↓ |
