UCSF

ZINC40740122

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 11 Yes

Other Names:

MFCD14602247

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) -0.41 -0.58 -41.5 3 3 1 40 159.253 3
Mid Mid (pH 6-8) -0.41 1.75 -105.5 4 3 2 41 160.261 3

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.