UCSF

ZINC15441400

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 16 Yes

Other Names:

MFCD06201373

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) 3.82 6.5 -5.98 0 2 0 18 214.264 3

Vendor Notes

Note Type Comments Provided By
Purity 96% Fluorochem
PUBCHEM_PATENT_ID EP0732331A1; EP0766559A1; EP0902025A2; EP0979076A1; US5808061; WO1998048793A1; WO1999007693A1 IBM Patent Data

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