UCSF

ZINC20282926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 No

Other Names:

MFCD09043099

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) 0.32 1.03 -14 4 7 0 110 265.298 4
Hi High (pH 8-9.5) 0.32 1.11 -47.37 3 7 -1 112 264.29 4
Mid Mid (pH 6-8) 0.49 1.83 -51.54 5 7 1 114 266.306 3
Mid Mid (pH 6-8) 0.32 1.09 -44.64 4 7 0 113 265.298 4

Vendor Notes

Note Type Comments Provided By
MP 218 - 220 Enamine Building Blocks
MP 218...220 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )