| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 25 | No |
Popular Name: 2-[(4-isobutylpiperazin-1-yl)methyl]-4-nitro-isoindoline-1,3-dione 2-[(4-isobutylpiperazin-1-yl)met…
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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) | 2.15 | 8.69 | -41.41 | 1 | 8 | 1 | 93 | 347.395 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 6.73 | -13.58 | 0 | 8 | 0 | 91 | 346.387 | 5 | ↓ |
