In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 30 | No |
Popular Name: (2S)-3-(3-allyloxybenzoyl)-1-butyl-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one (2S)-3-(3-allyloxybenzoyl)-1-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) | 4.01 | 7.53 | -61.77 | 1 | 6 | -1 | 90 | 406.458 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.01 | 6.78 | -16.22 | 2 | 6 | 0 | 87 | 407.466 | 9 | ↓ |