In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 30 | No |
Popular Name: (2S)-4-hydroxy-1-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-3-(4-isobutoxybenzoyl)-2H-pyrrol-5-one (2S)-4-hydroxy-1-(2-hydroxyethyl…
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) | 2.42 | 4.07 | -57.69 | 2 | 7 | -1 | 110 | 410.446 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 3.32 | -12.6 | 3 | 7 | 0 | 107 | 411.454 | 8 | ↓ |