UCSF

ZINC39318919

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 13 Yes

Other Names:

MFCD18629315

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) 1.44 5.4 -113.68 4 2 2 32 184.327 2
Mid Mid (pH 6-8) 1.44 5.02 -25.91 3 2 1 30 183.319 2
Mid Mid (pH 6-8) 1.44 3.61 -39.59 3 2 1 31 183.319 2

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% )