UCSF

ZINC15446087

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 11 Yes

Other Names:

MFCD09743391

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) -0.15 -2.42 -40.82 4 3 1 51 159.253 2
Lo Low (pH 4.5-6) -0.15 -0.03 -107.94 5 3 2 52 160.261 2

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.