UCSF

ZINC19864942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 13 Yes

Other Names:

MFCD11135173

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) -0.03 0.41 -45.5 3 4 1 55 192.279 8
Hi High (pH 8-9.5) -0.03 -1.1 -7.84 2 4 0 51 191.271 8

Vendor Notes

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

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