UCSF

ZINC38338649

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 11 Yes

Other Names:

MFCD09040643

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) 1.77 2.36 -28.81 2 2 1 16 153.249 0
Mid Mid (pH 6-8) 1.77 1.42 -38.35 2 2 1 20 153.249 0

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.