UCSF

ZINC60017215

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 40 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) 7.34 13.29 -55.05 1 8 -1 119 557.696 5
Mid Mid (pH 6-8) 7.34 13.37 -22.97 2 8 0 117 558.704 5

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

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