UCSF

ZINC42460288

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 Yes

Other Names:

MFCD14664734

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) -0.29 2.84 -45.61 3 3 1 40 223.34 7
Hi High (pH 8-9.5) -0.29 2.54 -3.5 2 3 0 38 222.332 7
Mid Mid (pH 6-8) -0.29 4.85 -35.56 3 3 1 40 223.34 7

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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