| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 40 | No |
None
| 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) | 2.98 | 14.57 | -50.34 | 3 | 10 | 1 | 104 | 544.68 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | 14.88 | -93.24 | 4 | 10 | 2 | 105 | 545.688 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one](http://zinc12.docking.org/img/rings/476502.gif)
![4-[(6-keto-9-phenethyl-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(4-piperidyl)benzamide](http://zinc12.docking.org/img/rings/482023.gif)