UCSF

ZINC04571276

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 26 No

CAS Numbers: 6054-97-3 , [6054-97-3]

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) 2.19 -6.98 -97.89 1 8 -2 142 370.342 4

Vendor Notes

Note Type Comments Provided By
mp 190 - 192 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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