UCSF

ZINC40187500

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 31 Yes

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Annotations

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) 5.73 12.67 -12.94 1 5 0 56 413.521 6
Lo Low (pH 4.5-6) 5.73 13.6 -33.92 2 5 1 57 414.529 6

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