UCSF

ZINC60017633

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 39 No

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Annotations

Vendors

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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) 6.47 12.48 -51.17 1 8 -1 110 543.717 9
Lo Low (pH 4.5-6) 6.47 12.55 -19.81 2 8 0 108 544.725 9

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

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