| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2007 | 27 | Yes |
Popular Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-hydroxy-6-phenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone 1-(3,4-dihydro-2H-quinolin-1-yl)…
| 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) | 3.75 | 7.04 | -49.94 | 0 | 6 | -1 | 82 | 377.449 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.29 | 8.28 | -13.84 | 1 | 6 | 0 | 79 | 378.457 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)thio]ethanone](http://zinc12.docking.org/img/rings/6717.gif)