UCSF

ZINC71566092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 23 Yes

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Annotations

None

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) 1.77 4.54 -9.09 1 6 0 77 328.397 5
Lo Low (pH 4.5-6) 1.77 5 -41.82 2 6 1 78 329.405 5

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

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