UCSF

ZINC22212165

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 Yes

Other Names:

MFCD09735019

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) 0.60 3.64 -90.53 4 4 2 48 222.336 3
Mid Mid (pH 6-8) 0.60 3.92 -179.2 5 4 3 49 223.344 3
Mid Mid (pH 6-8) 0.60 1.27 -49.53 3 4 1 47 221.328 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% )