UCSF

ZINC36330601

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 16 Yes

Other Names:

MFCD12090261

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) 1.38 1.49 -12.78 2 5 0 71 218.212 1
Lo Low (pH 4.5-6) 1.38 1.36 -28.09 3 5 1 72 219.22 1

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.