| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: 5-(3,3-dimethyl-1-piperidyl)-4-ethyl-1,2,4-triazole-3-thiol 5-(3,3-dimethyl-1-piperidyl)-4-e…
| 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) | 1.81 | 9.76 | -9.95 | 1 | 4 | 0 | 37 | 240.376 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 9.88 | -45.25 | 0 | 4 | -1 | 34 | 239.368 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
