UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4116939
4116939
39887121
39887121
39887122
39887122
39887143
39887143
39887147
39887147

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Popular Name: 2-(2-furyl)-1-(3-methylphenyl)-4-oxo-6-sulfanyl-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile 2-(2-furyl)-1-(3-methylphenyl)-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) 2.54 7.48 -45.44 1 5 -1 69 310.358 2 ↓

Analogs

4116941
4116941
39887097
39887097
39887098
39887098
39887143
39887143
39887229
39887229

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Popular Name: (2S)-5-cyano-2-(2-furyl)-6-keto-3-(4-methoxyphenyl)-1,2-dihydropyrimidine-4-thiolate (2S)-5-cyano-2-(2-furyl)-6-keto-…

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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) 2.17 6.09 -45.2 1 6 -1 79 326.357 3 ↓

Analogs

4116943
4116943
39887097
39887097
39887098
39887098
39887749
39887749
39887750
39887750

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Popular Name: 1-(4-fluorophenyl)-2-(2-furyl)-4-oxo-6-sulfanyl-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile 1-(4-fluorophenyl)-2-(2-furyl)-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) 2.28 6.86 -42.28 1 5 -1 69 314.321 2 ↓

Analogs

4116945
4116945
39887175
39887175
39887176
39887176
39887179
39887179
39887180
39887180

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Popular Name: (2R)-2-(2-furyl)-6-keto-4-mercapto-3-(o-tolyl)-1,2-dihydropyrimidine-5-carbonitrile (2R)-2-(2-furyl)-6-keto-4-mercap…

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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) 2.51 1.17 -12.52 1 5 0 69 311.366 2 ↓

Parameters Provided:

ring.id = 220911
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 = 220911 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=220911&filter.purchasability=annotated

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