UCSF

ZINC04736902

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 31 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) 3.02 8.67 -28.38 1 8 0 92 423.469 9
Mid Mid (pH 6-8) 3.13 0.64 -57.08 1 8 1 91 424.477 9

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

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