| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2010 | 21 | Yes |
Popular Name: methyl 4-((3-butylpiperazin-1-yl)methyl) benzoate methyl 4-((3-butylpiperazin-1-yl…
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CAS Number: 1131622-73-5
| 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) | 3.49 | 7.29 | -44.02 | 2 | 4 | 1 | 46 | 291.415 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 6.02 | -5.6 | 1 | 4 | 0 | 42 | 290.407 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 9.55 | -132.03 | 3 | 4 | 2 | 47 | 292.423 | 7 | ↓ |
