| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 16 | Yes |
Popular Name: (2R)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]cycloheptanone (2R)-2-[(3S)-3-(dimethylamino)py…
| 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) | 1.57 | 5.5 | -39.82 | 1 | 3 | 1 | 25 | 225.356 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 3.12 | -5.94 | 0 | 3 | 0 | 24 | 224.348 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 5.38 | -32.97 | 1 | 3 | 1 | 25 | 225.356 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
