| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 18 | Yes |
Popular Name: (3S)-3-[2-cyanoethyl(3-pyridylmethyl)amino]pentanenitrile (3S)-3-[2-cyanoethyl(3-pyridylme…
| 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) | 0.28 | 5.82 | -14.27 | 0 | 4 | 0 | 64 | 242.326 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.28 | 6.29 | -43.44 | 1 | 4 | 1 | 65 | 243.334 | 7 | ↓ |
