UCSF

ZINC95098837

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2013 44 No

CAS Number: 61276-17-3

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Annotations

Vendors

    None

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) -0.45 -6.76 -23.69 9 15 0 245 624.592 11

Vendor Notes

Note Type Comments Provided By
Target Caspase-3(P42574) Herbal Ingredients Targets

Activity (Go SEA)

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

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