UCSF

ZINC59178655

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 21 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) 5.41 9.89 -47.29 2 3 1 35 314.877 11
Hi High (pH 8-9.5) 5.41 8.45 -4.91 1 3 0 30 313.869 11

Activity (Go SEA)

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