| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2009 | 22 | Yes |
Popular Name: 4-{[4-(4-Ethylpiperazin-1-yl)phenyl]amino}-4-oxobutanoic acid 4-{[4-(4-Ethylpiperazin-1-yl)phe…
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CAS Numbers: , 1119451-56-7
4-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}-4-oxobutanoicacid
| 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) | 1.27 | 5.72 | -77.78 | 2 | 6 | 0 | 77 | 305.378 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 3.34 | -50.53 | 1 | 6 | -1 | 76 | 304.37 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.27 | 4.6 | -46.54 | 3 | 6 | 1 | 74 | 306.386 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
