UCSF

ZINC62040307

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 29 No

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Annotations

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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) 1.31 2.33 -69.71 2 9 -1 133 419.483 9
Lo Low (pH 4.5-6) 1.69 4.29 -29.26 3 9 0 126 420.491 8

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

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