In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 24 | Yes |
Popular Name: 4-[3-[(E)-2-(4-cyclopropylthiazol-2-yl)vinyl]anilino]-4-oxo-butanoic 4-[3-[(E)-2-(4-cyclopropylthiazo…
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) | 2.51 | 9.16 | -50.18 | 1 | 5 | -1 | 82 | 341.412 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.51 | 7.18 | -12.95 | 2 | 5 | 0 | 79 | 342.42 | 7 | ↓ |