| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 17 | Yes |
Popular Name: 4-(aminomethyl)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one 4-(aminomethyl)-1-(2,6-dimethylp…
| 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) | 0.80 | 5.53 | -30.5 | 3 | 5 | 1 | 75 | 231.279 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 4.98 | -14.87 | 2 | 5 | 0 | 74 | 230.271 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 5.4 | -50.36 | 3 | 5 | 1 | 75 | 231.279 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 5.92 | -115.99 | 4 | 5 | 2 | 77 | 232.287 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
