UCSF

ZINC35565254

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 23 No

CAS Number: 189188-57-6

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Annotations

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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) 2.82 8.95 -32.09 5 6 1 97 314.413 8
Mid Mid (pH 6-8) 2.82 8.81 -13.58 4 6 0 96 313.405 8

Vendor Notes

Note Type Comments Provided By
Purity 98.5 APIChem

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

No pre-computed analogs available. Try a structural similarity search.