UCSF

ZINC55103997

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 35 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) 4.59 12.41 -15.39 0 6 0 47 484.625 4
Lo Low (pH 4.5-6) 4.59 14.66 -49.41 1 6 1 48 485.633 4

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

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