| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 19 | Yes |
Popular Name: (1S,2R)-2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]cycloheptanecarbonitrile (1S,2R)-2-[(3S)-3-(diethylamino)…
| 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) | 3.30 | 7.27 | -39.41 | 1 | 3 | 1 | 31 | 264.437 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 5.23 | -6.78 | 0 | 3 | 0 | 30 | 263.429 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
