UCSF

ZINC33779266

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 35 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) -0.93 12.59 -81.67 4 9 2 107 482.629 9
Hi High (pH 8-9.5) -0.93 10.3 -30.08 3 9 1 106 481.621 9

Activity (Go SEA)

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