UCSF

ZINC19230048

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 19 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) 0.60 3.68 -41.66 3 4 1 51 262.377 4
Mid Mid (pH 6-8) 0.60 3.34 -7.36 2 4 0 50 261.369 4
Mid Mid (pH 6-8) 0.60 5.6 -45.48 3 4 1 51 262.377 4

Vendor Notes

Note Type Comments Provided By
MP 102 - 104 Enamine Building Blocks
MP 102...104 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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