UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5Z)-1-(3-chlorophenyl)-5-[(1-piperidylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-1-(3-chlorophenyl)-5-[(1-pi…

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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) 2.39 6.84 -43.62 1 6 -1 73 363.85 3 ↓
Lo Low (pH 4.5-6) 1.93 7.92 -9.28 2 6 0 70 364.858 3 ↓

Analogs

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Popular Name: (5Z)-1-(4-fluorophenyl)-5-[(1-piperidylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-1-(4-fluorophenyl)-5-[(1-pi…

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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) 1.69 6.4 -40.68 1 6 -1 73 347.395 3 ↓
Lo Low (pH 4.5-6) 1.23 7.48 -8.38 2 6 0 70 348.403 3 ↓

Analogs

9109800
9109800

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Popular Name: (5Z)-1-(m-tolyl)-5-[(1-piperidylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-1-(m-tolyl)-5-[(1-piperidyl…

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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) 2.16 6.99 -45.83 1 6 -1 73 343.432 3 ↓
Lo Low (pH 4.5-6) 1.70 8.07 -9.36 2 6 0 70 344.44 3 ↓

Analogs

33930237
33930237

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Popular Name: (5Z)-1-(4-isopropylphenyl)-5-[(1-piperidylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-1-(4-isopropylphenyl)-5-[(1…

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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) 3.04 8.27 -44.97 1 6 -1 73 371.486 4 ↓
Lo Low (pH 4.5-6) 2.58 9.35 -8.73 2 6 0 70 372.494 4 ↓

Analogs

33930101
33930101

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Popular Name: (5Z)-1-(2-fluorophenyl)-5-[(1-piperidylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-1-(2-fluorophenyl)-5-[(1-pi…

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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) 1.85 6.54 -48.33 1 6 -1 73 347.395 3 ↓
Lo Low (pH 4.5-6) 1.40 7.62 -11.24 2 6 0 70 348.403 3 ↓

Analogs

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Popular Name: (5Z)-1-(4-ethoxyphenyl)-5-[(1-piperidylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-1-(4-ethoxyphenyl)-5-[(1-pi…

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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) 1.96 6.58 -44.06 1 7 -1 82 373.458 5 ↓
Lo Low (pH 4.5-6) 1.50 7.65 -9.43 2 7 0 79 374.466 5 ↓

Parameters Provided:

ring.id = 56394
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 = 56394 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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