| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 24 | Yes |
Popular Name: 7-(3-phenylisoxazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one 7-(3-phenylisoxazole-5-carbonyl)…
| 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) | 1.12 | 6.16 | -15.16 | 1 | 7 | 0 | 92 | 322.324 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 4.1 | -46.82 | 0 | 7 | -1 | 95 | 321.316 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/17138.gif)
![7-(3-phenylisoxazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/29006.gif)