UCSF

ZINC66136235

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 43 No

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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) 4.02 13.81 -29.24 2 9 0 112 581.717 9
Lo Low (pH 4.5-6) 4.02 14.22 -49.79 3 9 1 113 582.725 9

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

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