UCSF

ZINC53658673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 20 Yes

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) 0.49 9.05 -167.01 4 5 3 49 283.44 9
Hi High (pH 8-9.5) 0.49 7.31 -45.66 2 5 1 44 281.424 9
Mid Mid (pH 6-8) 0.49 8.53 -111.1 3 5 2 48 282.432 9
Mid Mid (pH 6-8) 0.49 6.83 -77.62 3 5 2 48 282.432 9
Mid Mid (pH 6-8) 0.49 6.31 -44.19 2 5 1 47 281.424 9
Mid Mid (pH 6-8) 0.49 7.83 -92.96 3 5 2 45 282.432 9

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

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