| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 17 | Yes |
Popular Name: 6-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(1S,2R,4R)-2,4-dimethylcyclo…
| 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) | 0.92 | 2.38 | -5.06 | 3 | 6 | 0 | 91 | 238.291 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 0.73 | -37.29 | 2 | 6 | -1 | 94 | 237.283 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
