UCSF

ZINC53298833

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 18 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) -0.39 4.55 -92.3 3 5 2 51 257.378 7
Hi High (pH 8-9.5) -0.39 1.12 -7.45 1 5 0 45 255.362 7
Mid Mid (pH 6-8) -0.39 3.25 -35.34 2 5 1 46 256.37 7

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

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