UCSF

ZINC06781531

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 29 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) 5.54 15.08 -14.3 1 3 0 28 424.013 8
Lo Low (pH 4.5-6) 5.54 15.55 -51.3 2 3 1 29 425.021 8

Activity (Go SEA)

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