| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 27 | Yes |
Popular Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-tert-butyl-4H-1,2,4-triazin-5-one 3-[4-(1,3-benzodioxol-5-ylmethyl…
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| 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) | 2.69 | 8.53 | -60.53 | 2 | 8 | 1 | 85 | 372.449 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 5.39 | -45.29 | 0 | 8 | -1 | 87 | 370.433 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 6.33 | -14.39 | 1 | 8 | 0 | 84 | 371.441 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 7.6 | -62.07 | 1 | 8 | 0 | 88 | 371.441 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
