UCSF

ZINC36965089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 12 Yes

Other Names:

MFCD11646214

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) 0.65 2.94 -43.54 2 3 1 39 168.216 1
Hi High (pH 8-9.5) 0.65 1.57 -5.73 1 3 0 34 167.208 1

Vendor Notes

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

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

No pre-computed analogs available. Try a structural similarity search.