In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 28 | No |
Popular Name: (2S)-3-(4-bromobenzoyl)-1-butyl-4-hydroxy-2-(4-methylsulfanylphenyl)-2H-pyrrol-5-one (2S)-3-(4-bromobenzoyl)-1-butyl-…
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) | 5.06 | 11.24 | -56.49 | 0 | 4 | -1 | 60 | 459.385 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.06 | 10.49 | -12.88 | 1 | 4 | 0 | 58 | 460.393 | 7 | ↓ |