UCSF

ZINC05141034

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 8 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) 0.72 1.53 -4.75 1 2 0 25 108.144 1
Lo Low (pH 4.5-6) 0.72 1.81 -27.94 2 2 1 26 109.152 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

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