UCSF

ZINC13133481

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 19 No

Other Names:

MFCD06660498

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) 3.51 7.05 -12.14 1 3 0 46 294.738 2
Mid Mid (pH 6-8) 3.97 4.62 -45.14 0 3 -1 49 293.73 2

Vendor Notes

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

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