UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-benzamido-N-cyclohexyl-2-(4-methylpiperidino)benzamide 5-benzamido-N-cyclohexyl-2-(4-me…

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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) 5.11 -1.57 -13.57 2 5 0 61 419.569 5 ↓

Analogs

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Popular Name: N-cyclohexyl-2-(4-methylpiperidino)-5-(p-anisoylamino)benzamide N-cyclohexyl-2-(4-methylpiperidi…

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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) 5.16 10.8 -18.67 2 6 0 71 449.595 6 ↓

Analogs

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Popular Name: N-cyclohexyl-2-(4-methylpiperidino)-5-[(4-nitrobenzoyl)amino]benzamide N-cyclohexyl-2-(4-methylpiperidi…

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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) 5.07 12.14 -21.01 2 8 0 107 464.566 6 ↓

Analogs

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Popular Name: N-cyclohexyl-2-(4-methylpiperidino)-5-[(3-nitrobenzoyl)amino]benzamide N-cyclohexyl-2-(4-methylpiperidi…

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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) 5.04 13.18 -20.16 2 8 0 107 464.566 6 ↓

Analogs

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Popular Name: N-cyclohexyl-5-[(3,5-dimethoxybenzoyl)amino]-2-(4-methylpiperidino)benzamide N-cyclohexyl-5-[(3,5-dimethoxybe…

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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) 5.15 10.12 -18.39 2 7 0 80 479.621 7 ↓

Parameters Provided:

ring.id = 759
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 = 759 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=759&filter.purchasability=annotated

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