In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 29 | No |
Popular Name: (2S)-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-(4-isobutoxybenzoyl)-1,2-dihydropyrrol-5-one (2S)-4-hydroxy-2-(4-hydroxy-3-me…
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) | 2.65 | 3.86 | -55.16 | 2 | 7 | -1 | 108 | 396.419 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.65 | 3.1 | -14.82 | 3 | 7 | 0 | 105 | 397.427 | 7 | ↓ |