UCSF

ZINC69052124

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 22 No

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Annotations

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Vendors

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) 2.50 5.68 -14.26 0 4 0 42 346.424 7
Lo Low (pH 4.5-6) 2.50 6.68 -40.86 1 4 1 44 347.432 7

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

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