In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 28 | No |
Popular Name: (2S)-1-butyl-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-[(E)-styryl]-2H-pyrrol-5-one (2S)-1-butyl-3-(2,4-dimethylthia…
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) | 3.68 | 9.66 | -58.56 | 0 | 5 | -1 | 73 | 395.504 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.68 | 8.91 | -13.36 | 1 | 5 | 0 | 71 | 396.512 | 7 | ↓ |