UCSF

ZINC53147253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 14 Yes

Other Names:

MFCD28383889

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) 0.97 4.1 -52.99 3 2 1 37 235.134 4
Hi High (pH 8-9.5) 0.97 3.76 -4.35 2 2 0 35 234.126 4

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% )