UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 3.81 0.94 -13.96 1 6 0 82 439.942 8 ↓

Analogs

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Popular Name: (8-carbamoyl-6-thiabicyclo[3.3.0]octa-7,9-dien-7-yl)carbamoylmethyl (8-carbamoyl-6-thiabicyclo[3.3.0…

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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) 2.80 -3.07 -15.62 3 6 0 98 424.931 7 ↓

Analogs

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Popular Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)amino]-2-oxo-ethyl] [2-[(3-carbamoyl-5,6-dihydro-4H-…

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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) 2.19 7.01 -19.62 3 11 0 163 463.468 10 ↓

Analogs

21604735
21604735
21605425
21605425
21605426
21605426
17051154
17051154

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Popular Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)amino]-2-oxo-ethyl] [2-[(3-carbamoyl-5,6-dihydro-4H-…

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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) 1.39 2.81 -23.99 5 11 0 177 448.457 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)amino]-2-oxo-ethyl] [2-[(3-carbamoyl-5,6-dihydro-4H-…

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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) 2.52 5.21 -17.56 3 8 0 117 418.471 8 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.79 8.39 -17.54 2 7 0 102 409.847 7 ↓
Mid Mid (pH 6-8) 3.79 9.42 -49.61 1 7 -1 105 408.839 7 ↓

Analogs

3411964
3411964
21245042
21245042

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Popular Name: methyl methyl

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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) 2.04 7.8 -20.56 1 8 0 116 437.495 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)amino]-2-oxo-ethyl] [2-[(3-carbamoyl-5,6-dihydro-4H-…

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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) 2.05 5.5 -17.72 3 7 0 108 388.445 8 ↓

Analogs

4331716
4331716
21601767
21601767
21601768
21601768

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Popular Name: 4-ethoxybenzoic-acid-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] 4-ethoxybenzoic-acid-[2-[(3-carb…

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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) 2.53 -2.49 -14.53 3 7 0 107 388.445 8 ↓

Analogs

17051154
17051154
21604735
21604735
21605425
21605425
21605426
21605426

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)amino]-2-oxo-ethyl] [2-[(3-carbamoyl-5,6-dihydro-4H-…

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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) 1.65 4.63 -19.28 5 10 0 170 404.404 7 ↓

Parameters Provided:

ring.id = 39854
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 = 39854 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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