UCSF

ZINC20091982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 14 Yes

Other Names:

MFCD11158209

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) 2.17 4.76 -33.76 2 2 1 20 199.362 6
Hi High (pH 8-9.5) 2.17 5.82 -29.32 2 2 1 16 199.362 6
Mid Mid (pH 6-8) 2.17 7.22 -109.39 3 2 2 21 200.37 6

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% )