UCSF

ZINC20128439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 14 Yes

Other Names:

MFCD11160128

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) 0.96 4.29 -84.79 3 3 2 24 201.358 5
Mid Mid (pH 6-8) 0.96 4.21 -101.64 3 3 2 24 201.358 5
Mid Mid (pH 6-8) 0.96 1.81 -37.69 2 3 1 23 200.35 5

Vendor Notes

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

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