| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | No |
Popular Name: 4-[3-(diethylamino)propyl]-5-(4-pyridyl)-1,2,4-triazole-3-thiol 4-[3-(diethylamino)propyl]-5-(4-…
| 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) | 2.05 | 9.17 | -59.22 | 1 | 5 | 0 | 48 | 291.424 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 9.1 | -47.73 | 2 | 5 | 1 | 51 | 292.432 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
