UCSF

ZINC52860550

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 20 No

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) 1.07 5.86 -6.05 3 5 0 75 290.754 4
Lo Low (pH 4.5-6) 1.07 4.48 -29.46 4 5 1 76 291.762 4
Lo Low (pH 4.5-6) 1.07 4.94 -91.14 5 5 2 78 292.77 4
Lo Low (pH 4.5-6) 1.07 6.32 -36.5 4 5 1 76 291.762 4

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

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