| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: (2R)-2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]cyclohexanone (2R)-2-[(3S)-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) | 1.81 | 6.05 | -36.32 | 1 | 3 | 1 | 25 | 239.383 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 4.02 | -4.95 | 0 | 3 | 0 | 24 | 238.375 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 6.23 | -32.01 | 1 | 3 | 1 | 25 | 239.383 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 8.34 | -104.29 | 2 | 3 | 2 | 26 | 240.391 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
