| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 21 | No |
Popular Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[methyl(propyl)amino]methyl]-4H-1,2,4-triazole-3-thione 5-(5-chloro-2-methoxy-phenyl)-2-…
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| 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) | 3.12 | 10.05 | -37.51 | 2 | 5 | 1 | 47 | 327.861 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 7.71 | -10.63 | 1 | 5 | 0 | 46 | 326.853 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.85 | 9.43 | -33.81 | 1 | 5 | 0 | 44 | 326.853 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
