| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2011 | 22 | No |
Popular Name: (3S,6R)-4-amino-3-[2-(5-chloro-2H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazinan-5-one (3S,6R)-4-amino-3-[2-(5-chloro-2…
| 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) | 1.00 | 0.45 | -40.57 | 6 | 7 | 1 | 96 | 323.808 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 1.82 | -115.31 | 7 | 7 | 2 | 101 | 324.816 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[2-(2H-indol-3-yl)ethylamino]-1,2,4-triazinan-5-one](http://zinc12.docking.org/img/rings/359737.gif)