| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2010 | 26 | Yes |
Popular Name: 1-[2-[[4-allyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidine 1-[2-[[4-allyl-5-(1,3-benzodioxo…
| 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) | 3.97 | 11.24 | -41.87 | 1 | 6 | 1 | 54 | 373.502 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 9.03 | -9.09 | 0 | 6 | 0 | 52 | 372.494 | 7 | ↓ |
