UCSF

ZINC35017907

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 No

Download: MOL2 SDF SMILES Flexibase

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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) 2.82 5.4 -3.08 1 1 0 20 212.273 0
Lo Low (pH 4.5-6) 2.82 5.69 -41.33 1 1 1 20 213.281 0

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

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