UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37979910
37979910
43402709
43402709
43403044
43403044
43403212
43403212
43403276
43403276

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Popular Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-phenylsulfanyl-ethanone 1-(4-methyl-1,4-diazepan-1-yl)-2…

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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) 1.88 9.08 -44.15 1 3 1 25 265.402 3 ↓

Analogs

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Popular Name: 4-[2-(o-tolylsulfanyl)acetyl]-1,4-diazepane-1-sulfonamide 4-[2-(o-tolylsulfanyl)acetyl]-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) 1.04 3.46 -18.15 2 6 0 84 343.474 4 ↓
Hi High (pH 8-9.5) 1.04 3.83 -52.65 1 6 -1 81 342.466 4 ↓

Analogs

43402731
43402731
43403216
43403216

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Popular Name: 1-(4-ethyl-1,4-diazepan-1-yl)-2-(3-methoxyphenyl)sulfanyl-ethanone 1-(4-ethyl-1,4-diazepan-1-yl)-2-…

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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) 2.29 8.99 -45.61 1 4 1 34 309.455 5 ↓
Hi High (pH 8-9.5) 2.29 7.14 -12.27 0 4 0 33 308.447 5 ↓

Analogs

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Popular Name: 4-[2-(2-chlorophenyl)sulfanylacetyl]-1,4-diazepane-1-carboxamide 4-[2-(2-chlorophenyl)sulfanylace…

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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) 1.79 6.16 -21.87 2 5 0 67 327.837 3 ↓

Analogs

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Popular Name: 4-[2-(4-tert-butylphenyl)sulfanylacetyl]-1,4-diazepane-1-carboxamide 4-[2-(4-tert-butylphenyl)sulfany…

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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) 2.87 8.02 -19.1 2 5 0 67 349.5 4 ↓

Parameters Provided:

ring.id = 3781
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 = 3781 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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