In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 25 | No |
Popular Name: (2S)-1-butyl-3-(2,4-dimethylthiazole-5-carbonyl)-2-(2-furyl)-4-hydroxy-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) | 2.18 | 6.61 | -58.37 | 0 | 6 | -1 | 86 | 359.427 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.18 | 5.86 | -13.6 | 1 | 6 | 0 | 84 | 360.435 | 6 | ↓ |