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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36983627
36983627

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Popular Name: 1,4-bis[(2-methoxy-5-methyl-phenyl)sulfonyl]-1,4-diazepane 1,4-bis[(2-methoxy-5-methyl-phen…

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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 6.12 -16.03 0 8 0 93 468.597 6 ↓

Analogs

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Popular Name: 1,4-bis[(4-fluoro-3-methyl-phenyl)sulfonyl]-1,4-diazepane 1,4-bis[(4-fluoro-3-methyl-pheny…

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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) 3.40 6.38 -13.47 0 6 0 75 444.525 4 ↓

Analogs

3422778
3422778

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Popular Name: 1-(2,4-difluorophenyl)sulfonyl-4-(p-tolylsulfonyl)-1,4-diazepane 1-(2,4-difluorophenyl)sulfonyl-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) 3.03 5.52 -15.45 0 6 0 75 430.498 4 ↓

Analogs

644510
644510

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Popular Name: 1-(4-isopropylphenyl)sulfonyl-4-(p-tolylsulfonyl)-1,4-diazepane 1-(4-isopropylphenyl)sulfonyl-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) 4.28 7.49 -16.17 0 6 0 75 436.599 5 ↓

Analogs

36983832
36983832

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Popular Name: 3-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide 3-[[4-(p-tolylsulfonyl)-1,4-diaz…

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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) 1.44 0.41 -25.65 2 9 0 135 473.598 5 ↓

Analogs

38428027
38428027

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Popular Name: 1-(benzenesulfonyl)-4-(p-tolylsulfonyl)-1,4-diazepane 1-(benzenesulfonyl)-4-(p-tolylsu…

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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) 2.77 5.64 -14.3 0 6 0 75 394.518 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane 1-(2,4-difluorophenyl)sulfonyl-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) 2.74 5.2 -11.44 0 6 0 75 434.461 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-bis[(2,3,5,6-tetramethylphenyl)sulfonyl]-1,4-diazepane 1,4-bis[(2,3,5,6-tetramethylphen…

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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) 5.48 -4.05 -12.07 0 6 0 74 492.707 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(p-tolylsulfonyl)-4-(2,3,5,6-tetrafluoro-4-methoxy-phenyl)sulfonyl-1,4-diazepane 1-(p-tolylsulfonyl)-4-(2,3,5,6-t…

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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 5.29 -15.88 0 7 0 84 496.504 5 ↓

Parameters Provided:

ring.id = 101962
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 = 101962 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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