UCSF

ZINC20178071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 10 Yes

Other Names:

MFCD09739421

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) 0.00 1.58 -43.92 3 3 1 54 140.21 0
Mid Mid (pH 6-8) 0.00 -0.85 -6.75 2 3 0 53 139.202 0
Mid Mid (pH 6-8) 0.00 -0.59 -54.72 3 3 1 55 140.21 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% )