| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 24 | No |
Popular Name: 4-(4-Ethyl-piperazin-1-yl)-3,5-dinitro-benzoic acid methyl ester 4-(4-Ethyl-piperazin-1-yl)-3,5-d…
| 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) | 2.25 | 9.44 | -40.15 | 1 | 10 | 1 | 126 | 339.328 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 7.13 | -6.68 | 0 | 10 | 0 | 124 | 338.32 | 6 | ↓ |
