| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 17 | Yes |
Popular Name: 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methyl-methanamine 1-[2-[(3,5-dimethyl-1,2,4-triazo…
| 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) | 0.74 | 7.21 | -40.75 | 2 | 4 | 1 | 47 | 231.323 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 5.76 | -9.21 | 1 | 4 | 0 | 43 | 230.315 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
