UCSF

ZINC55501741

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 28 No

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Annotations

Vendors

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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) 5.30 10.9 -112.14 0 5 -2 85 442.364 8
Lo Low (pH 4.5-6) 4.39 11.2 -15.05 2 5 0 76 444.38 8

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

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