UCSF

ZINC33905881

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 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) 1.42 11.67 -47.54 1 9 -1 135 482.9 8
Lo Low (pH 4.5-6) 1.42 12.27 -47.5 2 9 0 140 483.908 8
Lo Low (pH 4.5-6) 1.42 12.6 -43.96 2 9 0 140 483.908 8

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