| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 25 | No |
Popular Name: (4aS)-N-[(E)-(4-ethoxyphenyl)methyleneamino]-4aH-[1,2,4]triazino[5,6-b]indol-3-amine (4aS)-N-[(E)-(4-ethoxyphenyl)met…
| 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) | 3.65 | 6.98 | -91.59 | 3 | 7 | 2 | 86 | 334.383 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 6.81 | -31.17 | 2 | 7 | 1 | 85 | 333.375 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | 8 | -195.56 | 4 | 7 | 3 | 88 | 335.391 | 4 | ↓ |
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)
![4aH-[1,2,4]triazino[5,6-b]indol-3-yl-(benzalamino)amine](http://zinc12.docking.org/img/rings/591590.gif)