UCSF

ZINC47844118

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2010 17 Yes

Other Names:

MFCD16547571

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) 2.31 8.57 -111.98 3 2 2 21 232.371 3
Mid Mid (pH 6-8) 2.31 7.21 -28.4 2 2 1 16 231.363 3
Mid Mid (pH 6-8) 2.31 6.51 -34.94 2 2 1 20 231.363 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% )