UCSF

ZINC41657098

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 12 No

Other Names:

MFCD16483367

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) 0.53 3.42 -9.13 2 4 0 57 180.236 1
Lo Low (pH 4.5-6) 0.53 3.68 -28.11 3 4 1 58 181.244 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.