| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: (1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]cycloheptanecarbonitrile (1S,2R)-2-[(3S)-3-(dimethylamino…
| 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) | 2.55 | 6.25 | -41.3 | 1 | 3 | 1 | 31 | 236.383 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 3.86 | -7.62 | 0 | 3 | 0 | 30 | 235.375 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
