UCSF

ZINC36966113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.73 -0.88 -11.19 7 11 0 173 568.708 5
Lo Low (pH 4.5-6) 2.73 0.15 -47.76 8 11 1 178 569.716 5

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

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