In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2010 | 31 | No |
Popular Name: (2S)-1-benzyl-2-(4-tert-butylphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (2S)-1-benzyl-2-(4-tert-butylphe…
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) | 5.38 | 12.93 | -60.9 | 0 | 4 | -1 | 60 | 430.549 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.38 | 12.18 | -12.18 | 1 | 4 | 0 | 58 | 431.557 | 6 | ↓ |