UCSF

ZINC34754831

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 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) 1.64 7.08 -113.9 3 3 2 21 261.413 2
Mid Mid (pH 6-8) 1.64 6.6 -90.84 3 3 2 24 261.413 2
Mid Mid (pH 6-8) 1.64 4.21 -38.81 2 3 1 23 260.405 2

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% )