UCSF

ZINC53993788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2010 14 Yes

Other Names:

MFCD09971551

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) 0.20 1.01 -134.2 1 4 -2 75 209.123 2
Lo Low (pH 4.5-6) 0.20 3.32 -81.7 2 4 -1 80 210.131 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.