In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 31 | Yes |
Popular Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-pyridyl)quinazoline 4-[4-(benzenesulfonyl)piperazin-…
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) | 3.61 | 9.55 | -16.02 | 0 | 7 | 0 | 79 | 431.521 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.61 | 9.89 | -36.25 | 1 | 7 | 1 | 81 | 432.529 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.61 | 9.9 | -35.34 | 1 | 7 | 1 | 81 | 432.529 | 4 | ↓ |