In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 19 | Yes |
Popular Name: 2-(difluoromethyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one 2-(difluoromethyl)-6-pyrrolidin-…
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) | 2.13 | 6.82 | -16.33 | 1 | 3 | 0 | 36 | 264.275 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.43 | 5.5 | -48.78 | 0 | 3 | -1 | 39 | 263.267 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.