UCSF

ZINC59207877

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 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) 5.14 12.48 -17.35 0 2 0 34 325.246 9
Hi High (pH 8-9.5) 5.89 11.38 -50.55 0 2 -1 40 324.238 8

Activity (Go SEA)

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