UCSF

ZINC20122290

Substance Information

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

Other Names:

MFCD11158855

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 3.97 -35.86 2 3 1 33 197.302 5
Mid Mid (pH 6-8) 1.64 6.13 -116.05 3 3 2 34 198.31 5
Mid Mid (pH 6-8) 1.64 4.74 -30.19 2 3 1 30 197.302 5

Vendor Notes

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

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.