UCSF

ZINC25966301

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 20 No

CAS Number: 57-91-0

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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) 3.43 4.85 -4.77 2 2 0 40 272.388 0

Vendor Notes

Note Type Comments Provided By
Target Cell division protein kinase 4(P11802)&Apoptosis regulator BAX(Q07812)&Caspase-9(P55211)&Caspase-8(Q14790)&Caspase-3(P42574) Herbal Ingredients Targets

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

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