| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (1S,2S)-2-[[(1S)-1-(3-pyridyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1S)-1-(3-pyridyl)et…
| 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) | 1.87 | 5.2 | -7.9 | 1 | 3 | 0 | 49 | 215.3 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 6.15 | -48.74 | 2 | 3 | 1 | 53 | 216.308 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
