| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 16 | Yes |
Popular Name: (1S,2S)-2-[methyl(2-pyridylmethyl)amino]cyclopentanecarbonitrile (1S,2S)-2-[methyl(2-pyridylmethy…
| 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) | 1.62 | 7.32 | -40.89 | 1 | 3 | 1 | 41 | 216.308 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 5.06 | -6.78 | 0 | 3 | 0 | 40 | 215.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 5.77 | -34.97 | 1 | 3 | 1 | 41 | 216.308 | 3 | ↓ |
