UCSF

ZINC15442277

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 10 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) 2.31 4.49 -3.82 0 1 0 13 150.099 1

Vendor Notes

Note Type Comments Provided By
BP 83° Fluorochem
Purity 98% Fluorochem
PUBCHEM_PATENT_ID WO2000042971A2; WO2000042979A1; WO2000043356A1; WO2000043368A1 IBM Patent Data

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

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