UCSF

ZINC43937179

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 15 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) 2.33 1.45 -10.78 2 6 0 77 218.253 5
Hi High (pH 8-9.5) 2.51 -0.07 -43.23 1 6 -1 83 217.245 5

Activity (Go SEA)

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