| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: 3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one 3-[(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) | 2.07 | 6.96 | -38.5 | 1 | 3 | 1 | 25 | 265.352 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 4.58 | -6.32 | 0 | 3 | 0 | 24 | 264.344 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.07 | 9.35 | -115.41 | 2 | 3 | 2 | 26 | 266.36 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
