In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 18th, 2006 | 27 | No |
Popular Name: 3-hydroxy-5-(3-hydroxyphenyl)-1-(2-methoxyethyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one 3-hydroxy-5-(3-hydroxyphenyl)-1-…
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) | 2.31 | 5.8 | -44.78 | 1 | 6 | -1 | 90 | 366.393 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.75 | 3.93 | -28.56 | 2 | 6 | 0 | 87 | 367.401 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 4.92 | -23.21 | 1 | 6 | 0 | 84 | 367.401 | 6 | ↓ |