UCSF

ZINC05817676

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 24 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) 1.82 1.54 -9.78 3 7 0 106 326.356 5
Lo Low (pH 4.5-6) 1.82 1.96 -51.93 4 7 1 108 327.364 5

Activity (Go SEA)

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