| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 20 | Yes |
Popular Name: 4-[4-(2-hydroxy-ethyl)-piperazin-1-ylmethyl]-benzoic acid methyl ester 4-[4-(2-hydroxy-ethyl)-piperazin…
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CAS Number: 41595-34-0
| 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) | 1.17 | 3.72 | -46.78 | 2 | 5 | 1 | 54 | 279.36 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 1.33 | -8.86 | 1 | 5 | 0 | 53 | 278.352 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999052903A1 | IBM Patent Data |
