In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 33 | No |
Popular Name: (2R)-1-butyl-4-hydroxy-3-(4-isopropoxy-3-methyl-benzoyl)-2-(4-nitrophenyl)-2H-pyrrol-5-one (2R)-1-butyl-4-hydroxy-3-(4-isop…
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) | 4.95 | 12.31 | -55.34 | 0 | 8 | -1 | 115 | 451.499 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.95 | 11.56 | -16.68 | 1 | 8 | 0 | 113 | 452.507 | 9 | ↓ |