UCSF

ZINC95098850

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2013 26 No

CAS Number: 53-06-5

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Annotations

Vendors

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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) 1.43 4.65 -22.72 2 5 0 92 360.45 2

Vendor Notes

Note Type Comments Provided By
Target 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2(P26439)&3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1(P14060)&Steroid 21-hydroxylase(P08686)&Cystathionine gamma-lyase(P32929)&Arachidonate 5-lipoxygenase(P09917) Herbal Ingredients Targets

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

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