In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 31 | No |
Popular Name: (E)-2-cyano-N-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]-3-(1-naphthyl)prop-2-enamide (E)-2-cyano-N-[5-[(4-ethylphenyl…
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) | 6.34 | 14.66 | -11.9 | 1 | 4 | 0 | 66 | 423.541 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.52 | 13.17 | -47.13 | 0 | 4 | -1 | 72 | 422.533 | 6 | ↓ |