| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2010 | 18 | Yes |
Popular Name: 1-(2-carboxyphenyl methyl)-3-ethyl-piperazine 1-(2-carboxyphenyl methyl)-3-eth…
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CAS Number: 1131622-41-7
| 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) | 1.78 | 5.99 | -61.06 | 2 | 4 | 0 | 60 | 248.326 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 7.98 | -94.17 | 3 | 4 | 1 | 61 | 249.334 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 4.84 | -50.75 | 1 | 4 | -1 | 55 | 247.318 | 4 | ↓ |
