UCSF

ZINC49647580

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 12 Yes

Other Names:

MFCD14689551

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) -0.42 0.88 -47.65 3 3 1 48 183.153 2
Hi High (pH 8-9.5) -0.42 0.57 -8.29 2 3 0 46 182.145 2

Vendor Notes

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

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