UCSF

ZINC34651139

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 13 Yes

Other Names:

MFCD11107361

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) 0.28 0.12 -35.37 4 4 1 64 186.279 3
Hi High (pH 8-9.5) -2.64 0.26 -6 4 4 0 64 185.271 3
Mid Mid (pH 6-8) 0.28 2.05 -105.01 5 4 2 65 187.287 3

Vendor Notes

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

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