UCSF

ZINC38654276

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 32 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) 7.45 10.68 -15.13 2 6 0 83 445.906 5
Hi High (pH 8-9.5) 7.45 11.68 -62.36 1 6 -1 86 444.898 5

Activity (Go SEA)

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