| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | No |
Popular Name: 4-(2-diethylaminoethyl)-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-(2-diethylaminoethyl)-5-(2-pyr…
| 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) | 1.93 | 9.2 | -48.71 | 1 | 5 | 0 | 48 | 277.397 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 7.07 | -48.72 | 0 | 5 | -1 | 47 | 276.389 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.20 | 9.17 | -38.06 | 2 | 5 | 1 | 51 | 278.405 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
