| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 15 | Yes |
Popular Name: (1S,2R)-2-(4-pyridylmethylamino)cyclopentanecarbonitrile (1S,2R)-2-(4-pyridylmethylamino)…
| 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) | 1.26 | 4.61 | -8.96 | 1 | 3 | 0 | 49 | 201.273 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 5.06 | -33.64 | 2 | 3 | 1 | 50 | 202.281 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 5.79 | -48.52 | 2 | 3 | 1 | 53 | 202.281 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
