In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 28 | No |
Popular Name: (2S)-3-(4-chlorobenzoyl)-2-(2-ethoxyphenyl)-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one (2S)-3-(4-chlorobenzoyl)-2-(2-et…
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) | 2.81 | 6.09 | -61.29 | 1 | 6 | -1 | 90 | 400.838 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.81 | 5.33 | -13.12 | 2 | 6 | 0 | 87 | 401.846 | 7 | ↓ |