UCSF

ZINC25491245

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 12 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) -0.97 0.24 -30.17 6 6 1 108 168.18 1
Mid Mid (pH 6-8) -0.97 -0.21 -12.65 5 6 0 107 167.172 1

Activity (Go SEA)

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