UCSF

ZINC48559042

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 19 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) -0.77 3.27 -47.79 3 6 1 92 269.369 8
Hi High (pH 8-9.5) -0.77 1.45 -21.03 2 6 0 90 268.361 8

Activity (Go SEA)

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