UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-phenyl-1,4-diazepan-2-one 1-phenyl-1,4-diazepan-2-one

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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) 0.93 4.42 -48.05 2 3 1 37 191.254 1 ↓
Hi High (pH 8-9.5) 0.93 3.14 -9.1 1 3 0 32 190.246 1 ↓

Analogs

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Popular Name: 1-(2-chlorophenyl)-1,4-diazepan-2-one 1-(2-chlorophenyl)-1,4-diazepan-…

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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) 1.56 5.25 -47.85 2 3 1 37 225.699 1 ↓
Hi High (pH 8-9.5) 1.56 3.98 -8.75 1 3 0 32 224.691 1 ↓

Analogs

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Popular Name: 1-(3-chloro-2-methyl-phenyl)-1,4-diazepan-2-one 1-(3-chloro-2-methyl-phenyl)-1,4…

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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) 1.96 5.88 -50.16 2 3 1 37 239.726 1 ↓
Hi High (pH 8-9.5) 1.96 4.61 -8.47 1 3 0 32 238.718 1 ↓

Analogs

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Popular Name: 1-(2,5-dichlorophenyl)-1,4-diazepan-2-one 1-(2,5-dichlorophenyl)-1,4-diaze…

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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) 2.21 5.77 -47.97 2 3 1 37 260.144 1 ↓
Hi High (pH 8-9.5) 2.21 4.49 -7.89 1 3 0 32 259.136 1 ↓

Parameters Provided:

ring.id = 26605
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 = 26605 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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