UCSF

ZINC41193249

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 0.72 0.94 -8.35 2 5 0 54 273.402 4
Lo Low (pH 4.5-6) 0.72 2.92 -42.97 3 5 1 55 274.41 4

Activity (Go SEA)

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