In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2009 | 27 | Yes |
Popular Name: 4-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N-isohexyl-piperazine-1-carboxamide 4-[2-[(2,6-dimethylphenyl)amino]…
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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) | 3.40 | 7.57 | -15.33 | 2 | 6 | 0 | 65 | 374.529 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.40 | 9.73 | -54.28 | 3 | 6 | 1 | 66 | 375.537 | 7 | ↓ |