UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) -0.36 5.01 -30.56 2 9 0 123 469.538 7 ↓
Mid Mid (pH 6-8) -0.36 3.3 -48.11 3 9 1 120 470.546 7 ↓
Mid Mid (pH 6-8) -0.36 4.22 -37.14 3 9 1 120 470.546 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) -0.34 4.09 -27.88 2 9 0 123 469.538 7 ↓
Mid Mid (pH 6-8) -0.34 3.31 -43.8 3 9 1 120 470.546 7 ↓
Mid Mid (pH 6-8) -0.34 4.23 -35.65 3 9 1 120 470.546 7 ↓

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]cyclohexanecarboxam N-(2,5-dimethoxyphenyl)-4-[[(2-m…

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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) -0.84 1.38 -26.93 2 9 0 115 457.527 6 ↓
Mid Mid (pH 6-8) -0.84 0.6 -42.55 3 9 1 113 458.535 6 ↓
Mid Mid (pH 6-8) -0.84 1.36 -33.57 3 9 1 113 458.535 6 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]cyclohexaneca N-(3-chloro-4-methoxy-phenyl)-4-…

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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) -0.22 2.35 -25.38 2 8 0 106 461.946 5 ↓
Ref Reference (pH 7) -0.22 3.44 -21.03 2 8 0 106 461.946 5 ↓
Mid Mid (pH 6-8) -0.22 1.57 -41.21 3 8 1 103 462.954 5 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)-4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]cyclohexanecarboxamide N-(2-ethoxyphenyl)-4-[[(2-morpho…

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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) -0.50 3.02 -23.85 2 8 0 106 441.528 6 ↓
Mid Mid (pH 6-8) -0.50 2.24 -39.92 3 8 1 103 442.536 6 ↓
Mid Mid (pH 6-8) -0.50 3.04 -35.28 3 8 1 103 442.536 6 ↓

Analogs

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Popular Name: N-(2-methoxy-5-methyl-phenyl)-4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]cyclohexaneca N-(2-methoxy-5-methyl-phenyl)-4-…

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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) -0.45 2.76 -24.29 2 8 0 106 441.528 5 ↓
Mid Mid (pH 6-8) -0.45 1.98 -40.35 3 8 1 103 442.536 5 ↓
Mid Mid (pH 6-8) -0.45 2.75 -32.1 3 8 1 103 442.536 5 ↓

Parameters Provided:

ring.id = 57559
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 57559 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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