In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 33 | No |
Popular Name: (2S)-1-butyl-2-(4-tert-butylphenyl)-4-hydroxy-3-(4-isopropoxybenzoyl)-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) | 6.32 | 12.78 | -59.84 | 0 | 5 | -1 | 70 | 448.583 | 9 | ↓ |
Lo Low (pH 4.5-6) | 6.32 | 12.07 | -12.62 | 1 | 5 | 0 | 67 | 449.591 | 9 | ↓ |