UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13012024
13012024

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Popular Name: (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxo-ethyl]propanamide (2R)-2-(4-chlorophenyl)sulfanyl-…

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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) 2.49 5.38 -9.08 2 4 0 58 312.822 6 ↓

Analogs

13012023
13012023

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Popular Name: (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxo-ethyl]propanamide (2S)-2-(4-chlorophenyl)sulfanyl-…

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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) 2.49 5.36 -9.09 2 4 0 58 312.822 6 ↓

Analogs

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Popular Name: 2-[[2-(4-aminophenyl)sulfanylacetyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[2-(4-aminophenyl)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) 0.77 4.39 -16.66 3 5 0 75 293.392 6 ↓

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-acetamide 2-(2-amino-4-methyl-phenyl)sulfa…

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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 5.14 -15.83 3 5 0 75 307.419 6 ↓

Analogs

43403340
43403340

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Popular Name: 2-(4-amino-2-methyl-phenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-acetamide 2-(4-amino-2-methyl-phenyl)sulfa…

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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) 1.15 4.96 -16.42 3 5 0 75 307.419 6 ↓

Analogs

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Popular Name: 2-[[2-(4-amino-2-fluoro-phenyl)sulfanylacetyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[2-(4-amino-2-fluoro-phenyl)s…

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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) 0.86 4.44 -19.63 3 5 0 75 311.382 6 ↓

Analogs

43403301
43403301

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Popular Name: 2-[[2-(2-amino-4-fluoro-phenyl)sulfanylacetyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[2-(2-amino-4-fluoro-phenyl)s…

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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) 1.27 4.54 -15.6 3 5 0 75 311.382 6 ↓

Analogs

43403324
43403324

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Popular Name: 2-[[2-(2-amino-6-chloro-phenyl)sulfanylacetyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[2-(2-amino-6-chloro-phenyl)s…

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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) 1.76 5.05 -15.05 3 5 0 75 327.837 6 ↓

Analogs

43403333
43403333

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Popular Name: 2-[[2-(4-amino-2-chloro-phenyl)sulfanylacetyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[2-(4-amino-2-chloro-phenyl)s…

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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) 1.38 4.85 -18.22 3 5 0 75 327.837 6 ↓

Analogs

43403374
43403374

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Popular Name: 2-[[2-(2-amino-4-bromo-phenyl)sulfanylacetyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[2-(2-amino-4-bromo-phenyl)su…

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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) 1.92 5.09 -15.08 3 5 0 75 372.288 6 ↓

Parameters Provided:

ring.id = 112101
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 = 112101 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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