In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 31 | Yes |
Popular Name: 7-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylmethoxy]-5-hydroxy-2,2-dimethyl-chroman-4-one 7-[[4-(4-fluorophenyl)piperazin-…
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) | 3.46 | 9.01 | -18 | 1 | 7 | 0 | 79 | 428.46 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.46 | 10 | -55.18 | 0 | 7 | -1 | 82 | 427.452 | 4 | ↓ |