| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 27 | No |
Popular Name: 2-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]-4-nitro-isoindoline-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) | 3.00 | 9.67 | -43.46 | 1 | 8 | 1 | 93 | 375.449 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 7.41 | -13.49 | 0 | 8 | 0 | 91 | 374.441 | 6 | ↓ |
