UCSF

ZINC37118315

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 13 Yes

Other Names:

MFCD12138751

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) 1.41 5.33 -33.94 2 2 1 20 183.319 5
Hi High (pH 8-9.5) 1.41 5.86 -27.02 2 2 1 16 183.319 5
Mid Mid (pH 6-8) 1.41 7.12 -110.03 3 2 2 21 184.327 5

Vendor Notes

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

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