UCSF

ZINC33715186

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 16 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) -0.53 5.96 -58.25 1 4 -1 73 224.142 1
Hi High (pH 8-9.5) 0.77 4.7 -117.05 0 4 -2 76 223.134 1
Lo Low (pH 4.5-6) -0.53 5.14 -24.87 2 4 0 76 225.15 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% )