UCSF

ZINC83406910

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2013 26 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) -5.05 -3.39 -112.46 7 10 -1 192 403.462 6
Mid Mid (pH 6-8) -5.05 -3.24 -119.61 6 10 -2 190 402.454 6
Lo Low (pH 4.5-6) -5.05 -3.46 -137.77 8 10 0 194 404.47 6

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

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