In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 31 | No |
Popular Name: (2S)-4-hydroxy-1-(3-hydroxypropyl)-3-(4-isobutoxybenzoyl)-2-(p-tolyl)-2H-pyrrol-5-one (2S)-4-hydroxy-1-(3-hydroxypropy…
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) | 3.64 | 8.29 | -60.65 | 1 | 6 | -1 | 90 | 422.501 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.64 | 7.54 | -13.47 | 2 | 6 | 0 | 87 | 423.509 | 9 | ↓ |