In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 30 | No |
Popular Name: (2S)-1-butyl-2-(4-tert-butylphenyl)-4-hydroxy-3-(4-methylbenzoyl)-2H-pyrrol-5-one (2S)-1-butyl-2-(4-tert-butylphen…
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) | 5.97 | 12.59 | -61.34 | 0 | 4 | -1 | 60 | 404.53 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.97 | 11.84 | -12.06 | 1 | 4 | 0 | 58 | 405.538 | 7 | ↓ |