In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 21 | Yes |
Popular Name: (6Z)-3-ethoxy-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one (6Z)-3-ethoxy-6-(4-phenyl-1,2-di…
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) | 3.86 | 5.56 | -8.97 | 2 | 4 | 0 | 58 | 280.327 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.86 | 6.35 | -45.29 | 1 | 4 | -1 | 61 | 279.319 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.86 | 6.34 | -56.84 | 1 | 4 | -1 | 61 | 279.319 | 4 | ↓ |