UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14244537
14244537

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Popular Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanone 2-[(1S)-2-acetyl-1H-isoquinolin-…

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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) 1.98 10.17 -20.68 0 7 0 78 475.517 4 ↓

Analogs

14244536
14244536

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Popular Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanone 2-[(1R)-2-acetyl-1H-isoquinolin-…

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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) 1.98 10.22 -20.35 0 7 0 78 475.517 4 ↓

Analogs

14244546
14244546

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Popular Name: 1-[(1S)-1-[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-1H-isoquinolin-2-yl]ethanone 1-[(1S)-1-[2-[4-(4-isopropylphen…

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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) 3.24 12.12 -20.17 0 7 0 78 481.618 5 ↓

Analogs

14244545
14244545

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Popular Name: 1-[(1R)-1-[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-1H-isoquinolin-2-yl]ethanone 1-[(1R)-1-[2-[4-(4-isopropylphen…

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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) 3.24 12.14 -19.95 0 7 0 78 481.618 5 ↓

Analogs

14245250
14245250

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Popular Name: 1-[(1S)-1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-1H-isoquinolin-2-yl]ethanon 1-[(1S)-1-[2-[4-(2,4-dimethylphe…

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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) 2.55 11.23 -20.03 0 7 0 78 467.591 4 ↓

Analogs

14245249
14245249

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Popular Name: 1-[(1R)-1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-1H-isoquinolin-2-yl]ethanon 1-[(1R)-1-[2-[4-(2,4-dimethylphe…

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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) 2.55 11.22 -19.67 0 7 0 78 467.591 4 ↓

Analogs

14245253
14245253

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Popular Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone 2-[(1S)-2-acetyl-1H-isoquinolin-…

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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) 1.84 10.15 -22.21 0 7 0 78 457.527 4 ↓

Analogs

14245252
14245252

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Popular Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone 2-[(1R)-2-acetyl-1H-isoquinolin-…

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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) 1.84 10.05 -21.74 0 7 0 78 457.527 4 ↓

Analogs

14246693
14246693

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Popular Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone 2-[(1S)-2-acetyl-1H-isoquinolin-…

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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) 1.37 9.4 -22.85 0 9 0 96 499.589 6 ↓

Analogs

14246692
14246692

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Popular Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone 2-[(1R)-2-acetyl-1H-isoquinolin-…

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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) 1.37 9.39 -22.82 0 9 0 96 499.589 6 ↓

Analogs

14246858
14246858
14248489
14248489
14248491
14248491

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Popular Name: 1-[(1S)-1-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-1H-isoquinolin-2-yl]ethanone 1-[(1S)-1-[2-oxo-2-[4-(p-tolylsu…

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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) 2.17 10.95 -20.64 0 7 0 78 453.564 4 ↓

Analogs

14248489
14248489
14248491
14248491
14246857
14246857

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Popular Name: 1-[(1R)-1-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-1H-isoquinolin-2-yl]ethanone 1-[(1R)-1-[2-oxo-2-[4-(p-tolylsu…

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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) 2.17 10.86 -20.3 0 7 0 78 453.564 4 ↓

Analogs

14248317
14248317

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Popular Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone 2-[(1S)-2-acetyl-1H-isoquinolin-…

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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) 1.89 10.3 -20.25 0 7 0 78 457.527 4 ↓

Analogs

14248315
14248315

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Popular Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone 2-[(1R)-2-acetyl-1H-isoquinolin-…

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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) 1.89 10.27 -20.3 0 7 0 78 457.527 4 ↓

Analogs

14248491
14248491
14246857
14246857
14246858
14246858

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Popular Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone 2-[(1S)-2-acetyl-1H-isoquinolin-…

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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) 1.73 10.23 -20.8 0 7 0 78 439.537 4 ↓

Analogs

14246857
14246857
14246858
14246858
14248489
14248489

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Popular Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone 2-[(1R)-2-acetyl-1H-isoquinolin-…

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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) 1.73 10.18 -20.42 0 7 0 78 439.537 4 ↓

Analogs

14248500
14248500

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Popular Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone 2-[(1S)-2-acetyl-1H-isoquinolin-…

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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) 1.87 10.26 -20.45 0 7 0 78 457.527 4 ↓

Analogs

14248498
14248498

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Popular Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone 2-[(1R)-2-acetyl-1H-isoquinolin-…

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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) 1.87 10.27 -21.7 0 7 0 78 457.527 4 ↓

Parameters Provided:

ring.id = 237851
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 = 237851 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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