UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-bromo-2-chloro-N-[(1-morpholinocyclohexyl)methyl]benzamide 5-bromo-2-chloro-N-[(1-morpholin…

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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) 4.40 6.22 -6.34 1 4 0 42 415.759 4 ↓

Analogs

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Popular Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-[(1-morpholinocyclohexyl)methyl]benzamide 2-(2-amino-2-oxo-ethyl)sulfanyl-…

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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) 2.10 3.01 -17.61 3 6 0 85 391.537 7 ↓
Mid Mid (pH 6-8) 2.10 4.97 -49.83 4 6 1 86 392.545 7 ↓

Analogs

34948083
34948083
34948086
34948086
26063567
26063567
26063570
26063570

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Popular Name: 2-methyl-N-[(1-morpholinocyclohexyl)methyl]-3-nitro-benzamide 2-methyl-N-[(1-morpholinocyclohe…

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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) 3.29 6.16 -11.87 1 7 0 87 361.442 5 ↓
Mid Mid (pH 6-8) 3.29 8.19 -53.86 2 7 1 89 362.45 5 ↓

Analogs

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Popular Name: 4-(dimethylamino)-N-[(1-morpholinocyclohexyl)methyl]benzamide 4-(dimethylamino)-N-[(1-morpholi…

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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) 3.08 5.5 -8.62 1 5 0 45 345.487 5 ↓
Mid Mid (pH 6-8) 3.08 7.46 -42.18 2 5 1 46 346.495 5 ↓

Parameters Provided:

ring.id = 13466
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 = 13466 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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