UCSF

ZINC57218536

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 13 Yes

Other Names:

MFCD16817550

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) 0.46 3.4 -56.81 1 5 -1 82 194.195 2
Lo Low (pH 4.5-6) 0.46 3.9 -74.09 2 5 0 83 195.203 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.