| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 13th, 2009 | 28 | No |
Popular Name: 3-(4-nitrophenyl)-5-piperazin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline 3-(4-nitrophenyl)-5-piperazin-1-…
| 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) | 2.96 | 12.38 | -55.93 | 2 | 9 | 1 | 109 | 376.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 11.03 | -11.29 | 1 | 9 | 0 | 104 | 375.392 | 3 | ↓ |
