UCSF

ZINC39995629

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 26 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) -0.59 0.25 -84.43 3 8 0 118 383.47 5
Hi High (pH 8-9.5) -0.59 0.11 -68.43 2 8 -1 113 382.462 5

Activity (Go SEA)

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