UCSF

ZINC04529488

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 12 No

CAS Numbers: 5934-56-5 , 921-60-8 , [5934-56-5]

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) -2.64 -9.89 -9.54 5 6 0 110 180.156 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4997820 IBM Patent Data

Activity (Go SEA)

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