UCSF

ZINC25077467

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 34 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) 2.45 9.12 -52.03 1 10 -1 138 464.454 7
Lo Low (pH 4.5-6) 2.45 7.99 -26.86 2 10 0 135 465.462 7

Activity (Go SEA)

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