UCSF

ZINC34369629

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 8 No

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) 0.47 0.72 -5.4 3 3 0 59 114.148 2
Lo Low (pH 4.5-6) 0.47 0.27 -31.47 4 3 1 60 115.156 2
Lo Low (pH 4.5-6) 0.47 0.35 -30.77 4 3 1 60 115.156 2

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% )