In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 30 | No |
Popular Name: (2R)-3-(4-bromobenzoyl)-2-(4-butoxyphenyl)-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one (2R)-3-(4-bromobenzoyl)-2-(4-but…
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) | 4.05 | 7.19 | -60.34 | 1 | 6 | -1 | 90 | 473.343 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.05 | 6.44 | -15.44 | 2 | 6 | 0 | 87 | 474.351 | 9 | ↓ |