UCSF

ZINC39917572

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 29 Yes

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Vendors

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) 4.33 11.78 -41.94 1 5 1 35 413.973 8
Hi High (pH 8-9.5) 4.33 9.41 -9.33 0 5 0 34 412.965 8
Mid Mid (pH 6-8) 4.33 11.67 -45.36 1 5 1 35 413.973 8
Lo Low (pH 4.5-6) 4.33 12.08 -80.93 2 5 2 36 414.981 8

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