UCSF

ZINC60320459

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 36 No

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Annotations

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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) 2.98 10.02 -59.46 2 8 -1 128 501.644 9
Lo Low (pH 4.5-6) 2.98 8.04 -22.16 3 8 0 125 502.652 9

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

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