UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-furyl-[4-[2-hydroxy-1-(hydroxymethyl)ethyl]-1,4-diazepan-1-yl]methanone 2-furyl-[4-[2-hydroxy-1-(hydroxy…

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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) -0.48 2.13 -38.57 3 6 1 78 269.321 4 ↓
Hi High (pH 8-9.5) -0.48 0.3 -10.95 2 6 0 77 268.313 4 ↓

Analogs

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Popular Name: 2-[4-(5-ethylfuran-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-ynyl-acetamide 2-[4-(5-ethylfuran-2-carbonyl)-1…

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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) 1.36 7.18 -45.58 2 6 1 67 318.397 5 ↓
Hi High (pH 8-9.5) 1.36 5.58 -12.17 1 6 0 66 317.389 5 ↓

Analogs

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Popular Name: (5-bromo-3-methyl-2-furyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone (5-bromo-3-methyl-2-furyl)-(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) 1.48 3.58 -11.37 0 6 0 71 365.249 2 ↓

Analogs

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Popular Name: 2-[4-(5-bromo-3-methyl-furan-2-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(5-bromo-3-methyl-furan-2-c…

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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) 0.84 4.14 -40.85 3 6 1 81 345.217 3 ↓
Hi High (pH 8-9.5) 0.84 2.52 -9.94 2 6 0 80 344.209 3 ↓

Analogs

37038539
37038539
37038802
37038802
37038803
37038803
34977242
34977242

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Popular Name: 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(furan-2-carbonyl)-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) -0.47 2.74 -46.22 3 6 1 81 252.294 3 ↓
Hi High (pH 8-9.5) -0.47 1.15 -13.68 2 6 0 80 251.286 3 ↓

Analogs

37037989
37037989
37038369
37038369
37038772
37038772
37038773
37038773
37038891
37038891

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Popular Name: 2-[4-(3-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(3-methylfuran-2-carbonyl)-…

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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) -0.10 3.41 -45.36 3 6 1 81 266.321 3 ↓
Hi High (pH 8-9.5) -0.10 1.79 -13.28 2 6 0 80 265.313 3 ↓

Analogs

20462542
20462542

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Popular Name: 1-[4-(5-nitrofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone 1-[4-(5-nitrofuran-2-carbonyl)-1…

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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) 0.24 5.67 -9.85 0 8 0 100 281.268 2 ↓

Parameters Provided:

ring.id = 137567
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 = 137567 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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