UCSF

ZINC20468244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 20 Yes

Other Names:

MFCD11834020

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) 1.81 5.69 -38.91 2 4 1 41 272.372 2
Hi High (pH 8-9.5) 1.81 3.65 -8.78 1 4 0 40 271.364 2
Mid Mid (pH 6-8) 1.81 6.1 -90.76 3 4 2 42 273.38 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 95 - 97 Enamine Building Blocks
MP 95...97 Enamine Building Blocks

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