UCSF

ZINC67425236

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 10 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) 0.44 4.1 -94.25 3 2 2 21 144.262 1
Mid Mid (pH 6-8) 0.44 2.79 -32.68 2 2 1 16 143.254 1
Mid Mid (pH 6-8) 0.44 1.5 -37.32 2 2 1 20 143.254 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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