UCSF

ZINC40203825

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2010 33 No

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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) 5.24 12.85 -18.21 1 6 0 67 450.627 8
Lo Low (pH 4.5-6) 5.24 13.27 -38.84 2 6 1 68 451.635 8

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

No pre-computed analogs available. Try a structural similarity search.