UCSF

ZINC42175162

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 13 Yes

Other Names:

MFCD14643234

MFCD19382291

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) 1.68 4.09 -4.82 3 3 0 55 177.251 1
Mid Mid (pH 6-8) 1.68 4.2 -26.34 4 3 1 56 178.259 1
Mid Mid (pH 6-8) 1.68 3.51 -5.16 3 3 0 55 177.251 1

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% )