| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | No |
Popular Name: 5-[(3R)-3-ethyl-1-piperidyl]-4-propyl-1,2,4-triazole-3-thiol 5-[(3R)-3-ethyl-1-piperidyl]-4-p…
| 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) | 2.40 | 10.49 | -9.77 | 1 | 4 | 0 | 37 | 254.403 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 10.69 | -41.4 | 1 | 4 | 0 | 35 | 254.403 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 10.61 | -45.7 | 0 | 4 | -1 | 34 | 253.395 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 10.78 | -44.96 | 2 | 4 | 1 | 38 | 255.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
