| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 23 | Yes |
Popular Name: 4-(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine 4-(6-ethyl-7,8-dihydro-5H-pyrido…
| 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) | 1.91 | 9.69 | -43.74 | 2 | 5 | 1 | 45 | 310.425 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 7.4 | -6 | 1 | 5 | 0 | 44 | 309.417 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 10.07 | -95.25 | 3 | 5 | 2 | 50 | 311.433 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine](http://zinc12.docking.org/img/rings/9075.gif)
![4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine](http://zinc12.docking.org/img/rings/410506.gif)