| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 24th, 2011 | 28 | Yes |
Popular Name: 2-[(4-benzylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one 2-[(4-benzylpiperazin-1-yl)methy…
| 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) | 2.19 | 11.67 | -42.79 | 1 | 7 | 1 | 60 | 375.456 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 9.42 | -9.6 | 0 | 7 | 0 | 59 | 374.448 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 11.88 | -38.25 | 1 | 7 | 1 | 60 | 375.456 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one](http://zinc12.docking.org/img/rings/49870.gif)
![2-[(4-benzylpiperazino)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one](http://zinc12.docking.org/img/rings/172627.gif)