UCSF

ZINC40442708

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) 2.43 2.08 -7.85 1 2 0 37 201.019 1
Hi High (pH 8-9.5) 2.43 2.87 -34.84 0 2 -1 40 200.011 1

Vendor Notes

Note Type Comments Provided By
MP 51-52° Matrix Scientific
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Light Sensitive/Refrigerate Matrix Scientific

Activity (Go SEA)

Rings

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

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