UCSF

ZINC39366071

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 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) 2.19 3.95 -3.32 1 1 0 12 165.211 0
Mid Mid (pH 6-8) 2.19 5.2 -42.18 2 1 1 17 166.219 0

Vendor Notes

Note Type Comments Provided By
MP 171 - 173 Enamine Building Blocks
MP 171...173 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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