UCSF

ZINC39642510

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 11 No

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) -0.02 -0.53 -46.89 3 3 1 46 169.126 2
Mid Mid (pH 6-8) -0.02 -2.31 -4.46 2 3 0 41 168.118 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% )