UCSF

ZINC42372938

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 Yes

Other Names:

MFCD14650802

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) 3.37 6.51 -40.34 2 2 1 29 233.36 3
Hi High (pH 8-9.5) 3.37 5.25 -6.04 1 2 0 25 232.352 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% )