In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 27 | No |
Popular Name: 2-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[[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) | 4.04 | 8.47 | -36.38 | 2 | 6 | 1 | 57 | 379.569 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.04 | 6.21 | -6.05 | 1 | 6 | 0 | 56 | 378.561 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.