| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 24 | Yes |
Popular Name: 3-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one 3-[[4-(3,3-dimethylbutyl)piperaz…
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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) | 2.79 | 6.83 | -39.04 | 1 | 6 | 1 | 55 | 330.456 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 4.56 | -8.44 | 0 | 6 | 0 | 54 | 329.448 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
