UCSF

ZINC19878302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 25 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) 2.28 3.56 -44.77 4 6 1 84 346.403 4
Mid Mid (pH 6-8) 2.28 1.78 -12 3 6 0 82 345.395 4

Activity (Go SEA)

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