UCSF

ZINC41234304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 Yes

Other Names:

MFCD16311424

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) 1.94 3.34 -4.04 1 3 0 24 220.316 5
Mid Mid (pH 6-8) 1.94 5.62 -39.54 2 3 1 26 221.324 5

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% )

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