In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2006 | 24 | No |
Popular Name: 3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-cyano-N-cyclohexyl-prop-2-enamide 3-(3-chloro-5-ethoxy-4-hydroxy-p…
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) | 3.95 | 6.23 | -9.54 | 2 | 5 | 0 | 82 | 348.83 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.95 | 7.16 | -45.02 | 1 | 5 | -1 | 85 | 347.822 | 5 | ↓ |