| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 18 | Yes |
Popular Name: 2-(4-Ethylpiperazin-1-ylmethyl)benzoic acid 2-(4-Ethylpiperazin-1-ylmethyl)b…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 914349-54-5 , [914349-54-5]
| 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) | 1.53 | 6.28 | -64.1 | 1 | 4 | 0 | 48 | 248.326 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 5.93 | -38.48 | 1 | 4 | 0 | 48 | 248.326 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 3.91 | -53.46 | 0 | 4 | -1 | 47 | 247.318 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
