UCSF

ZINC19230076

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 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) -0.25 3.08 -45.59 3 3 1 40 221.324 3
Hi High (pH 8-9.5) -0.25 2.8 -3.14 2 3 0 38 220.316 3

Vendor Notes

Note Type Comments Provided By
MP 42 - 46 Enamine Building Blocks
MP 43 - 45 Enamine Building Blocks
MP 43...45 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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