UCSF

ZINC20284992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 Yes

Other Names:

MFCD08445029

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) 2.69 6.45 -43.96 0 3 -1 53 230.218 2
Lo Low (pH 4.5-6) 2.69 6.81 -43.27 1 3 0 54 231.226 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% )