UCSF

ZINC35555121

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) 3.30 11.6 -13.54 1 8 0 94 461.497 5
Lo Low (pH 4.5-6) 3.30 12.07 -45.21 2 8 1 96 462.505 5

Activity (Go SEA)

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