| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 11th, 2011 | 14 | Yes |
Popular Name: {[4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}amine dihydrochloride {[4-(4-chlorophenyl)-4H-1,2,4-tr…
| 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) | 0.70 | 5.38 | -48.58 | 3 | 4 | 1 | 58 | 209.66 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 5 | -9.17 | 2 | 4 | 0 | 57 | 208.652 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
