UCSF

ZINC14982408

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 8 Yes

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) 2.75 4.09 -4.78 0 1 0 13 239.443 0

Vendor Notes

Note Type Comments Provided By
mp 47 - 49 MolMall (formerly Molecular Diversity Preservation International)
MP 82-84° Oakwood Chemical
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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