UCSF

ZINC42479659

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) -0.50 1.03 -29.95 5 6 1 100 250.326 5
Mid Mid (pH 6-8) -0.50 0.39 -8.81 4 6 0 99 249.318 5
Lo Low (pH 4.5-6) -0.50 1.02 -91.5 6 6 2 102 251.334 5

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

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