| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 21 | Yes |
Popular Name: 6-[4-(2-methylimidazol-1-yl)anilino]-2H-1,2,4-triazine-3,5-dione 6-[4-(2-methylimidazol-1-yl)anil…
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| 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) | 0.32 | 3.53 | -10.92 | 3 | 8 | 0 | 108 | 284.279 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 1.88 | -36.69 | 2 | 8 | -1 | 112 | 283.271 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | 3.99 | -34.56 | 4 | 8 | 1 | 110 | 285.287 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
