| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: [5-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethyl-pyrazol-4-yl]methanol [5-[(3S)-3-(diethylamino)pyrroli…
| 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) | 1.00 | 5.1 | -42.55 | 2 | 5 | 1 | 46 | 267.397 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 2.96 | -7.11 | 1 | 5 | 0 | 45 | 266.389 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 5.19 | -80.44 | 3 | 5 | 2 | 47 | 268.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
