UCSF

ZINC03949731

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 37 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) -4.79 6.15 -52.54 5 14 0 197 547.554 8
Lo Low (pH 4.5-6) -4.79 6.24 -78.21 6 14 1 199 548.562 8

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