| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-2-[[(1R)-1-(4-pyridyl)ethyl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(1R)-1-(4-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) | 2.83 | 6.78 | -7.88 | 1 | 3 | 0 | 49 | 243.354 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.83 | 7.26 | -42.03 | 2 | 3 | 1 | 53 | 244.362 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.83 | 7.24 | -32.48 | 2 | 3 | 1 | 50 | 244.362 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
