| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 29 | No |
Popular Name: 5-nitro-2-[2-oxo-2-[4-(2-thienylmethyl)piperazin-1-yl]ethyl]isoindoline-1,3-dione 5-nitro-2-[2-oxo-2-[4-(2-thienyl…
| 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) | 2.00 | 7.67 | -16.87 | 0 | 9 | 0 | 108 | 414.443 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 9.89 | -54.92 | 1 | 9 | 1 | 110 | 415.451 | 5 | ↓ |
