In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 25 | No |
Popular Name: 1-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]-6-nitro-indazole 1-[[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) | 3.51 | 9.39 | -41.06 | 1 | 7 | 1 | 71 | 346.455 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 7.13 | -7.92 | 0 | 7 | 0 | 70 | 345.447 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.