UCSF

ZINC34669952

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 12 Yes

Other Names:

MFCD11220476

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) 1.30 0.4 -44.75 0 3 -1 49 177.208 1
Mid Mid (pH 6-8) 0.84 2.28 -9.5 1 3 0 46 178.216 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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