In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 31 | Yes |
Popular Name: 4-[3-[(E)-2-(4-cyclohexylthiazol-2-yl)vinyl]anilino]-2,2-diethyl-4-oxo-butanoic 4-[3-[(E)-2-(4-cyclohexylthiazol…
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) | 5.60 | 13.56 | -63.39 | 1 | 5 | -1 | 82 | 439.601 | 9 | ↓ |
Lo Low (pH 4.5-6) | 5.60 | 11.48 | -17.53 | 2 | 5 | 0 | 79 | 440.609 | 9 | ↓ |