UCSF

ZINC71543265

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.43 8.38 -123.52 1 10 -2 145 431.426 9
Lo Low (pH 4.5-6) -0.43 6.43 -58.68 2 10 -1 142 432.434 9
Lo Low (pH 4.5-6) -0.43 6.43 -61.27 2 10 -1 142 432.434 9

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

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