UCSF

ZINC34370466

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 12 Yes

Other Names:

MFCD20661857

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) 1.41 4.31 -30.6 2 2 1 16 169.292 1
Mid Mid (pH 6-8) 1.41 3.62 -34.33 2 2 1 20 169.292 1
Mid Mid (pH 6-8) 1.41 5.58 -98.98 3 2 2 21 170.3 1

Vendor Notes

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

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