UCSF

ZINC12505161

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 19 No

Other Names:

MFCD08691152

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) 1.39 7.86 -11.66 1 5 0 46 282.413 3
Mid Mid (pH 6-8) 2.12 9.44 -47.73 1 5 0 44 282.413 3
Mid Mid (pH 6-8) 2.12 7.71 -48.73 0 5 -1 43 281.405 3

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% )