UCSF

ZINC39134173

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) -0.74 -1.14 -48.73 4 4 1 69 156.209 2
Hi High (pH 8-9.5) -0.56 -2.72 -61.06 3 4 0 75 155.201 2

Activity (Go SEA)

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