In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 26 | No |
Popular Name: 3-[(4-ethoxyphenyl)diazenyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2,9(1H,4H)-dione 3-[(4-ethoxyphenyl)diazenyl]-5,6…
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) | 3.41 | 5.78 | -17.45 | 2 | 8 | 0 | 104 | 353.382 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.14 | 4.01 | -50.4 | 1 | 8 | -1 | 104 | 352.374 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.33 | 2.5 | -130.42 | 0 | 8 | -2 | 110 | 351.366 | 4 | ↓ |