UCSF

ZINC72482078

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2012 10 No

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) 1.85 1.87 -7.84 1 2 0 37 156.568 1
Hi High (pH 8-9.5) 1.85 2.63 -37.36 0 2 -1 40 155.56 1

Vendor Notes

Note Type Comments Provided By
MP 104° Oakwood Chemical
MP 152° Oakwood Chemical
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
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.