UCSF

ZINC71496379

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 12 Yes

Other Names:

MFCD28246305

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) 0.77 4.48 -99.35 4 2 2 32 170.3 1
Hi High (pH 8-9.5) 0.77 4.2 -29.33 3 2 1 30 169.292 1
Mid Mid (pH 6-8) 0.77 2.33 -41.5 3 2 1 31 169.292 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.