UCSF

ZINC38338697

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 13 Yes

Other Names:

MFCD09259718

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) 1.67 4.67 -118.34 4 2 2 32 186.343 3
Mid Mid (pH 6-8) 1.67 3.42 -40.53 3 2 1 31 185.335 3
Mid Mid (pH 6-8) 1.67 4.95 -26.83 3 2 1 30 185.335 3

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% )