UCSF

ZINC05781772

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 22 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) 1.44 6.27 -35.18 1 7 -1 109 324.382 7
Mid Mid (pH 6-8) 1.40 6.73 -12.34 2 7 0 108 325.39 7

Activity (Go SEA)

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