| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 16 | No |
Popular Name: 5-methyl-4-(1-propyl-4-piperidyl)-1,2,4-triazole-3-thiol 5-methyl-4-(1-propyl-4-piperidyl…
| 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) | 0.83 | 8.16 | -43.48 | 2 | 4 | 1 | 38 | 241.384 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 8.28 | -54.36 | 1 | 4 | 0 | 35 | 240.376 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
