UCSF

ZINC52568443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 25 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) 0.47 4.07 -46.44 4 7 1 92 347.439 9
Hi High (pH 8-9.5) 0.66 1.41 -66 3 7 0 98 346.431 9

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

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