UCSF

ZINC21954738

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 Yes

Other Names:

MFCD09043301

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) 1.87 2.39 -11.18 3 4 0 72 266.297 3
Mid Mid (pH 6-8) 1.87 2.45 -47.04 2 4 -1 74 265.289 3

Vendor Notes

Note Type Comments Provided By
MP 143 - 145 Enamine Building Blocks
MP 143...145 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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