| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: (2R)-2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]cycloheptanone (2R)-2-[(3R)-3-(diethylamino)pyr…
| 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) | 2.32 | 6.57 | -38.56 | 1 | 3 | 1 | 25 | 253.41 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 4.44 | -5.25 | 0 | 3 | 0 | 24 | 252.402 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 8.8 | -107.82 | 2 | 3 | 2 | 26 | 254.418 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 6.69 | -33.47 | 1 | 3 | 1 | 25 | 253.41 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
