UCSF

ZINC33820913

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 29 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) 2.59 11.53 -60.78 0 5 -1 91 399.507 4
Lo Low (pH 4.5-6) 2.59 9.46 -22.46 1 5 0 89 400.515 4
Lo Low (pH 4.5-6) 2.59 9.55 -20.44 1 5 0 89 400.515 4

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