In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2013 | 21 | Yes |
Popular Name: 2-(4-Benzyl-piperazin-1-yl-methyl)aniline 2-(4-Benzyl-piperazin-1-yl-methy…
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CAS Number: 60261-53-2
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) | 2.41 | 6.32 | -40.08 | 4 | 3 | 1 | 46 | 282.411 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 4.97 | -3.84 | 3 | 3 | 0 | 41 | 281.403 | 4 | ↓ |
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