UCSF

ZINC06223245

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2006 19 No

CAS Numbers: 25320-99-4 , 4304-12-5 , [34246-23-6] , [4304-12-5]

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) -0.43 -9.89 -9.18 4 6 0 99 270.281 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4049797 IBM Patent Data

Activity (Go SEA)

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