UCSF

ZINC03816311

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 20 Yes

CAS Numbers: 519055-62-0 , 519055-63-1 , [519055-62-0]

Download: MOL2 SDF SMILES Flexibase

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) 4.20 -5.53 -12.94 1 4 0 63 415.117 3

Vendor Notes

Note Type Comments Provided By
Target Caspase Selleck Chemicals

Activity (Go SEA)

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

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