UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15021150
15021150

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Popular Name: 1-[(5-bromo-3-pyridyl)sulfonyl]-1,4-diazepane 1-[(5-bromo-3-pyridyl)sulfonyl]-…

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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) 0.70 1.53 -48.71 2 5 1 67 321.22 2 ↓

Analogs

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Popular Name: 1-[(6-nitro-3-pyridyl)sulfonyl]-1,4-diazepane 1-[(6-nitro-3-pyridyl)sulfonyl]-…

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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) 0.05 2.64 -56.36 2 8 1 113 287.321 3 ↓
Hi High (pH 8-9.5) 0.05 1.46 -11.84 1 8 0 108 286.313 3 ↓

Analogs

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Popular Name: 2-[4-[(6-amino-3-pyridyl)sulfonyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(6-amino-3-pyridyl)sulfony…

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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) -1.10 -1.22 -48.67 5 8 1 124 314.391 4 ↓
Mid Mid (pH 6-8) -1.10 -3.16 -15.79 4 8 0 123 313.383 4 ↓

Analogs

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Popular Name: 5-[[4-(2-methoxyethyl)-1,4-diazepan-1-yl]sulfonyl]pyridin-2-amine 5-[[4-(2-methoxyethyl)-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) 0.15 1.79 -42.91 3 7 1 90 315.419 5 ↓
Mid Mid (pH 6-8) 0.15 -0.26 -10.16 2 7 0 89 314.411 5 ↓

Analogs

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Popular Name: 1-[4-[(6-amino-3-pyridyl)sulfonyl]-1,4-diazepan-1-yl]propan-1-one 1-[4-[(6-amino-3-pyridyl)sulfony…

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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) 0.37 1.9 -17.27 2 7 0 97 312.395 3 ↓

Analogs

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Popular Name: 1-[4-[(6-amino-3-pyridyl)sulfonyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(6-amino-3-pyridyl)sulfony…

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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) -0.47 1.12 -17.81 2 7 0 97 298.368 2 ↓

Analogs

36731559
36731559
37038033
37038033
37039121
37039121
37039164
37039164
37039227
37039227

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Popular Name: 1-methylsulfonyl-4-(3-pyridylsulfonyl)-1,4-diazepane 1-methylsulfonyl-4-(3-pyridylsul…

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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) -0.28 -0.02 -15.5 0 7 0 88 319.408 3 ↓

Parameters Provided:

ring.id = 5902
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 = 5902 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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