UCSF

ZINC04490313

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 27 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) 4.51 11.62 -13.49 1 4 0 45 397.931 5
Lo Low (pH 4.5-6) 4.51 11.96 -34.17 2 4 1 46 398.939 5

Activity (Go SEA)

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