In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2006 | 29 | No |
Popular Name: 1-benzyl-4-(2,4-dimethylthiazol-5-yl)carbonyl-3-hydroxy-5-(3-pyridyl)-5H-pyrrol-2-one 1-benzyl-4-(2,4-dimethylthiazol-…
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) | 1.65 | -2.13 | -15.43 | 1 | 6 | 0 | 83 | 405.479 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.06 | -2.26 | -22.77 | 0 | 6 | 0 | 80 | 405.479 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | -2.4 | -65.43 | 2 | 6 | 1 | 84 | 406.487 | 4 | ↓ |