UCSF

ZINC57218773

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 12 Yes

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) 0.16 0.79 -7.82 2 4 0 54 163.18 0
Mid Mid (pH 6-8) 0.16 1.24 -37.87 3 4 1 55 164.188 0

Vendor Notes

Note Type Comments Provided By
MP 263 - 265 Enamine Building Blocks
MP 263...265 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.