UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-(cyclohexanecarbonyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone [4-(cyclohexanecarbonyl)piperazi…

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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) 1.90 5.65 -13.37 1 5 0 61 316.401 2 ↓

Analogs

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Popular Name: [4-(cyclohexanecarbonyl)piperazin-1-yl]-[2-(methoxymethyl)phenyl]methanone [4-(cyclohexanecarbonyl)piperazi…

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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) 2.31 8.26 -13.59 0 5 0 50 344.455 4 ↓

Analogs

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Popular Name: 1-[4-(3-hydroxybenzoyl)piperazine-1-carbonyl]cyclohexanecarbonitrile 1-[4-(3-hydroxybenzoyl)piperazin…

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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) 1.39 4.96 -13.1 1 6 0 85 341.411 2 ↓

Analogs

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Popular Name: [4-(cyclohexanecarbonyl)piperazin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone [4-(cyclohexanecarbonyl)piperazi…

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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) 3.39 9.55 -12.96 0 4 0 41 386.389 3 ↓

Analogs

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Popular Name: (4-bromo-3-fluoro-phenyl)-[4-(cyclohexanecarbonyl)piperazin-1-yl]methanone (4-bromo-3-fluoro-phenyl)-[4-(cy…

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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) 3.31 9.17 -11.75 0 4 0 41 397.288 2 ↓

Analogs

20891433
20891433
20891437
20891437

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Popular Name: [4-(cyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone [4-(cyclohexanecarbonyl)piperazi…

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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) 2.57 8.57 -10.7 0 4 0 41 318.392 2 ↓

Analogs

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Popular Name: (2-bromophenyl)-[4-(cyclohexanecarbonyl)piperazin-1-yl]methanone (2-bromophenyl)-[4-(cyclohexanec…

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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) 3.17 9 -11.98 0 4 0 41 379.298 2 ↓

Analogs

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Popular Name: (3-bromophenyl)-[4-(cyclohexanecarbonyl)piperazin-1-yl]methanone (3-bromophenyl)-[4-(cyclohexanec…

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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) 3.19 9.12 -11.66 0 4 0 41 379.298 2 ↓

Analogs

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Popular Name: [4-(cyclohexanecarbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone [4-(cyclohexanecarbonyl)piperazi…

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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) 2.96 7.9 -16.7 0 5 0 50 330.428 3 ↓

Analogs

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Popular Name: [4-(cyclohexanecarbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone [4-(cyclohexanecarbonyl)piperazi…

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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) 3.30 9.5 -10.89 0 4 0 41 368.399 3 ↓

Parameters Provided:

ring.id = 65655
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 = 65655 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=65655&filter.purchasability=annotated

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