| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 18 | No |
Popular Name: 2-(azocan-1-ylmethyl)-5-propyl-4H-1,2,4-triazole-3-thione 2-(azocan-1-ylmethyl)-5-propyl-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) | 2.54 | 10.38 | -36.52 | 2 | 4 | 1 | 38 | 269.438 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 8.97 | -10.39 | 1 | 4 | 0 | 37 | 268.43 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
