| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 17 | Yes |
Popular Name: [5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]methanamine [5-(4-tert-butylphenyl)-4H-1,2,4…
| 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) | 2.50 | 4.77 | -41.94 | 4 | 4 | 1 | 69 | 231.323 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 4.38 | -6.79 | 3 | 4 | 0 | 68 | 230.315 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 4.63 | -41.56 | 3 | 4 | 0 | 68 | 230.315 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
