UCSF

ZINC33905630

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 29 No

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Annotations

Vendors

    None

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) -0.37 6.06 -43.72 3 8 0 124 404.463 7
Mid Mid (pH 6-8) -0.37 5.08 -52.83 2 8 -1 119 403.455 7

Activity (Go SEA)

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