| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | No |
Popular Name: 5-(4-chlorophenyl)-2-[[2-methoxyethyl(methyl)amino]methyl]-4H-1,2,4-triazole-3-thione 5-(4-chlorophenyl)-2-[[2-methoxy…
| 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) | 2.24 | 8.91 | -37.36 | 2 | 5 | 1 | 47 | 313.834 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 5.77 | -41.06 | 0 | 5 | -1 | 43 | 311.818 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 6.57 | -10.58 | 1 | 5 | 0 | 46 | 312.826 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 8.13 | -30.91 | 1 | 5 | 0 | 44 | 312.826 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
