| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | No |
Popular Name: 2-[[3-methoxypropyl(methyl)amino]methyl]-5-phenyl-4H-1,2,4-triazole-3-thione 2-[[3-methoxypropyl(methyl)amino…
| 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) | 1.83 | 9.01 | -39.64 | 2 | 5 | 1 | 47 | 293.416 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 6.68 | -11.03 | 1 | 5 | 0 | 46 | 292.408 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 8.28 | -35.68 | 1 | 5 | 0 | 44 | 292.408 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
