| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 18 | Yes |
Popular Name: 4-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzoic 4-chloro-2-[(4-methyl-1,2,4-tria…
| 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) | 1.52 | 7.49 | -51.05 | 1 | 6 | -1 | 83 | 265.68 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 5.49 | -13.64 | 2 | 6 | 0 | 80 | 266.688 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
