| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 23 | Yes |
Popular Name: 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-2H-benzo[e][1,2,4]thiadiazine 3-(6,8-dihydro-5H-pyrido[3,4-d]p…
| 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) | 0.58 | 3.23 | -30.19 | 1 | 7 | 0 | 88 | 329.385 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | 2.83 | -46.3 | 0 | 7 | -1 | 90 | 328.377 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.58 | 5.41 | -73.49 | 2 | 7 | 1 | 89 | 330.393 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.58 | 5.01 | -46.53 | 1 | 7 | 0 | 91 | 329.385 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/25634.gif)
![4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide](http://zinc12.docking.org/img/rings/14099.gif)
![3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide](http://zinc12.docking.org/img/rings/353934.gif)