| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 26 | No |
Popular Name: 4-(4-chloro-2,5-dimethoxy-phenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate 4-(4-chloro-2,5-dimethoxy-phenyl…
| 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) | 4.59 | 10.01 | -44.09 | 0 | 8 | -1 | 95 | 391.816 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.87 | 10.16 | -16.77 | 1 | 8 | 0 | 98 | 392.824 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
