In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 26 | Yes |
Popular Name: 2-[4-[4-(p-tolyl)phthalazin-1-yl]piperazin-1-yl]ethanol 2-[4-[4-(p-tolyl)phthalazin-1-yl…
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) | 3.34 | 6.66 | -12.05 | 1 | 5 | 0 | 52 | 348.45 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 6.82 | -24.02 | 2 | 5 | 1 | 54 | 349.458 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.34 | 9.07 | -77.15 | 3 | 5 | 2 | 55 | 350.466 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.34 | 9.11 | -86.83 | 3 | 5 | 2 | 55 | 350.466 | 4 | ↓ |