| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 17 | Yes |
Popular Name: N-(4H-1,2,4-triazol-3-ylmethyl)-1-(2,4,6-trimethylphenyl)methanamine N-(4H-1,2,4-triazol-3-ylmethyl)-…
| 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) | 1.66 | 7.02 | -39.79 | 3 | 4 | 1 | 58 | 231.323 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 6.85 | -33.21 | 2 | 4 | 0 | 56 | 230.315 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 5.67 | -8.43 | 2 | 4 | 0 | 54 | 230.315 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
