| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 28 | No |
Popular Name: 1-[[(4aS)-4aH-[1,2,4]triazino[5,6-b]indol-3-yl]amino]-3-(1-naphthyl)urea 1-[[(4aS)-4aH-[1,2,4]triazino[5,…
| 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) | 3.51 | 7.22 | -103.24 | 5 | 8 | 2 | 106 | 371.404 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.51 | 7.69 | -38.84 | 4 | 8 | 1 | 104 | 370.396 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.51 | 7.88 | -107.02 | 5 | 8 | 2 | 106 | 371.404 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4aH-[1,2,4]triazino[5,6-b]indole](http://zinc12.docking.org/img/rings/357046.gif)
![1-(4aH-[1,2,4]triazino[5,6-b]indol-3-ylamino)-3-(1-naphthyl)urea](http://zinc12.docking.org/img/rings/596007.gif)