UCSF

ZINC19960197

Substance Information

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

Other Names:

MFCD11146493

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) 2.35 7.81 -110.72 3 2 2 21 200.37 5
Mid Mid (pH 6-8) 2.35 5.73 -33.19 2 2 1 20 199.362 5

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% )