UCSF

ZINC84842114

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 11 No

CAS Number: 97-59-6

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Annotations

None

Vendors

Physical Representations

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) -2.01 -5.56 -10.2 3 7 0 97 156.101 1
Hi High (pH 8-9.5) -1.83 -8.19 -37.49 2 7 -1 103 155.093 1

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 230? dec. Alfa-Aesar
Melting_Point ca 230° dec. Alfa-Aesar

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Analogs ( Draw Identity 99% 90% 80% 70% )

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