UCSF

ZINC00801641

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 9 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -1.37 -2.4 -38.85 3 2 1 40 123.179 1
Lo Low (pH 4.5-6) -1.37 -2.18 -103.46 4 2 2 41 124.187 1

Vendor Notes

Note Type Comments Provided By
MP 178 - 180 Enamine Building Blocks
MP 178...180 Enamine Building Blocks
MP 197-201° Matrix Scientific
MP 199 - 201 Enamine Building Blocks
MP 199...201 Enamine Building Blocks
MP 219 - 221 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000044737A1 IBM Patent Data

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