UCSF

ZINC05204434

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 27 No

Other Names:

MFCD00169212

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) 5.50 14.53 -13.05 0 3 0 43 354.405 7

Vendor Notes

Note Type Comments Provided By
mp 157 - 158 MolMall (formerly Molecular Diversity Preservation International)
melting_point 160 - 161 KeyOrganics

Activity (Go SEA)

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