| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-hydroxyphenyl)ethanone 2-[(3S)-3-(dimethylamino)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) | 1.16 | 3.47 | -43.28 | 2 | 4 | 1 | 45 | 249.334 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 1.86 | -42.56 | 0 | 4 | -1 | 47 | 247.318 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 1.07 | -8.35 | 1 | 4 | 0 | 44 | 248.326 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
