| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 17 | Yes |
Popular Name: 1-(2,3-dimethyl-4-pyridyl)-4-(methylamino)-1,3,5-triazin-2-one 1-(2,3-dimethyl-4-pyridyl)-4-(me…
| 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) | 0.84 | 6.53 | -51.27 | 2 | 6 | 1 | 74 | 232.267 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 6.04 | -15.85 | 1 | 6 | 0 | 73 | 231.259 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.84 | 6.95 | -102.78 | 3 | 6 | 2 | 75 | 233.275 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
