UCSF

ZINC59211304

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 39 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) 2.48 12.18 -58.64 3 10 1 121 564.717 11
Mid Mid (pH 6-8) 2.48 12.51 -108.22 4 10 2 122 565.725 11
Mid Mid (pH 6-8) 2.48 9.69 -17.91 2 10 0 119 563.709 11

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

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