UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11814477
11814477

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Popular Name: 5-[(2R)-7-fluoro-2-[(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonylamino)methyl]-2,3-dihydrobenzofur 5-[(2R)-7-fluoro-2-[(4,5,6,7-tet…

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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) 3.39 -4.45 -18.63 3 6 0 94 451.523 5 ↓

Analogs

11814476
11814476

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Popular Name: 5-[(2S)-7-fluoro-2-[(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonylamino)methyl]-2,3-dihydrobenzofur 5-[(2S)-7-fluoro-2-[(4,5,6,7-tet…

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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) 3.39 -4.5 -18.88 3 6 0 94 451.523 5 ↓

Analogs

11816653
11816653

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Popular Name: [(3R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]-(4,5,6,7-tetrahydro-2-benzothio [(3R)-3-(6,7-dimethoxy-3,4-dihyd…

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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) 3.82 0.05 -47.85 1 5 1 43 441.617 4 ↓

Analogs

11816652
11816652

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Popular Name: [(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]-(4,5,6,7-tetrahydro-2-benzothio [(3S)-3-(6,7-dimethoxy-3,4-dihyd…

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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) 3.82 0.1 -52.96 1 5 1 43 441.617 4 ↓

Analogs

11843139
11843139

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Popular Name: [(3R)-3-[(4-fluorophenyl)amino]-1-piperidyl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone [(3R)-3-[(4-fluorophenyl)amino]-…

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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) 5.09 -1 -10.73 1 3 0 32 358.482 3 ↓

Analogs

11843138
11843138

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Popular Name: [(3S)-3-[(4-fluorophenyl)amino]-1-piperidyl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone [(3S)-3-[(4-fluorophenyl)amino]-…

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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) 5.09 -1.02 -10.84 1 3 0 32 358.482 3 ↓

Analogs

11996343
11996343

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Popular Name: N-[(1R)-2-methyl-1-[7-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]tri N-[(1R)-2-methyl-1-[7-(4,5,6,7-t…

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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) 2.51 -2.56 -14.63 1 8 0 93 478.622 5 ↓

Analogs

11996342
11996342

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Popular Name: N-[(1S)-2-methyl-1-[7-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]tri N-[(1S)-2-methyl-1-[7-(4,5,6,7-t…

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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) 2.51 -2.54 -14.42 1 8 0 93 478.622 5 ↓

Analogs

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Popular Name: 3-methyl-N-[2-[1-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-4-piperidyl]pyrazol-3-yl]butanamid 3-methyl-N-[2-[1-(4,5,6,7-tetrah…

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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 -0.51 -17.34 1 6 0 67 414.575 5 ↓

Analogs

12027832
12027832

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Popular Name: (2R)-N-[2-(2-pyridyl)ethyl]-6-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-6-azaspiro[2.5]octane (2R)-N-[2-(2-pyridyl)ethyl]-6-(4…

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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) 3.21 -2.8 -15.48 1 5 0 62 423.582 5 ↓

Analogs

12027827
12027827

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Popular Name: (2S)-N-[2-(2-pyridyl)ethyl]-6-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-6-azaspiro[2.5]octane (2S)-N-[2-(2-pyridyl)ethyl]-6-(4…

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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) 3.21 -2.74 -18.64 1 5 0 62 423.582 5 ↓

Analogs

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Popular Name: 5-ethyl-N-[[3-methyl-7-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-6,8-dihydro-5H-2,7-naphthyri 5-ethyl-N-[[3-methyl-7-(4,5,6,7-…

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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) 2.99 -1.68 -13.39 1 7 0 88 464.591 5 ↓

Analogs

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Popular Name: N-[[3-methyl-7-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl N-[[3-methyl-7-(4,5,6,7-tetrahyd…

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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 4.3 -46.84 1 8 -1 111 462.555 4 ↓
Mid Mid (pH 6-8) 1.92 4.72 -67.29 2 8 0 112 463.563 4 ↓
Lo Low (pH 4.5-6) 1.46 6.57 -52.77 3 8 1 109 464.571 4 ↓

Analogs

20867170
20867170

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Popular Name: [4-[5-(o-tolyl)-2-(3-pyridyl)pyrimidin-4-yl]-1-piperidyl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)m [4-[5-(o-tolyl)-2-(3-pyridyl)pyr…

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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) 6.08 -0.68 -12.69 0 5 0 59 494.664 4 ↓

Analogs

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Popular Name: 9-methoxy-3-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-10-(thiomorpholine-4-carbonyl)-1,2,4,5- 9-methoxy-3-(4,5,6,7-tetrahydro-…

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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 -1.5 -15.25 0 7 0 72 487.647 3 ↓

Analogs

12040808
12040808

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Popular Name: N-[[(2S)-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-c N-[[(2S)-5-pyrimidin-5-yl-2,3-di…

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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) 3.80 -2.86 -12.01 1 5 0 64 391.496 4 ↓

Analogs

12040804
12040804

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Popular Name: N-[[(2R)-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-c N-[[(2R)-5-pyrimidin-5-yl-2,3-di…

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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) 3.80 -2.86 -11.99 1 5 0 64 391.496 4 ↓

Analogs

12074463
12074463
12074467
12074467

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Popular Name: ethyl ethyl

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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) 3.15 8.19 -12.33 0 6 0 53 405.564 4 ↓

Analogs

12074463
12074463
12074467
12074467

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Popular Name: ethyl ethyl

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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) 3.15 7.97 -12.7 0 6 0 53 405.564 4 ↓

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) 2.41 7.59 -12.25 0 6 0 64 345.424 3 ↓

Analogs

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Popular Name: N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide N-[(5-phenyl-1,3,4-oxadiazol-2-y…

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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) 2.96 4.06 -9.7 1 5 0 68 339.42 4 ↓

Analogs

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Popular Name: (2-isobutyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methan (2-isobutyl-5,7-dihydropyrrolo[3…

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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) 3.12 9.29 -8.02 0 4 0 46 341.48 3 ↓

Analogs

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Popular Name: N-(2,4-dimethyl-6-oxo-1-pyridyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide N-(2,4-dimethyl-6-oxo-1-pyridyl)…

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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) 3.07 8.34 -19.15 1 4 0 51 302.399 2 ↓

Analogs

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Popular Name: N-[[(3S)-1-[2-hydroxy-1-(hydroxymethyl)ethyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-2-benzothiop N-[[(3S)-1-[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) 1.40 3.75 -40.43 4 5 1 74 339.481 6 ↓

Analogs

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Popular Name: N-[[(3R)-1-[2-hydroxy-1-(hydroxymethyl)ethyl]pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-2-benzothiop N-[[(3R)-1-[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) 1.40 3.72 -40.13 4 5 1 74 339.481 6 ↓

Parameters Provided:

ring.id = 47404
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 = 47404 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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