UCSF

ZINC40053044

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 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) 0.31 2.06 -68.44 3 10 -1 151 467.454 9
Lo Low (pH 4.5-6) 0.31 1.31 -25.96 4 10 0 149 468.462 9

Activity (Go SEA)

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