UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

740890
740890
742207
742207

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Popular Name: 2,4-difluoro-N-[[4-(p-tolyl)thiazol-2-yl]carbamoylmethyl]benzamide 2,4-difluoro-N-[[4-(p-tolyl)thia…

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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) 3.73 -0.65 -13.81 2 5 0 71 387.411 5 ↓

Analogs

742207
742207

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Popular Name: N-[[4-(3,4-dimethylphenyl)thiazol-2-yl]carbamoylmethyl]-2,4-difluoro-benzamide N-[[4-(3,4-dimethylphenyl)thiazo…

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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) 4.11 -0.37 -14.02 2 5 0 71 401.438 5 ↓

Analogs

21597302
21597302
21597303
21597303

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Popular Name: N-[(1S)-1-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]carbamoyl]-2-methyl-propyl]-2-methyl-benzamide N-[(1S)-1-[[4-(4-methoxyphenyl)-…

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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) 4.45 9.93 -10.73 2 6 0 80 437.565 7 ↓

Analogs

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Popular Name: 3,5-dimethoxy-N-[(1S)-1-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]carbamoyl]-2-methyl-propyl]benza 3,5-dimethoxy-N-[(1S)-1-[[4-(4-m…

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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) 4.09 7.85 -13.74 2 8 0 99 483.59 9 ↓

Analogs

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Popular Name: N-[2-[[4-(3,4-difluorophenyl)-5-methyl-thiazol-2-yl]amino]-2-oxo-ethyl]-2-ethoxy-benzamide N-[2-[[4-(3,4-difluorophenyl)-5-…

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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) 4.44 9.26 -18.13 2 6 0 80 431.464 7 ↓
Hi High (pH 8-9.5) 4.26 8.2 -46.23 1 6 -1 87 430.456 7 ↓

Analogs

25447530
25447530

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Popular Name: N-[2-[[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]amino]-2-oxo-ethyl]-4-methoxy-benzamide N-[2-[[4-(4-fluorophenyl)-5-meth…

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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) 3.47 7.08 -12.62 2 6 0 80 399.447 6 ↓

Analogs

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Popular Name: 3-methyl-N-[2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl]benzamide 3-methyl-N-[2-oxo-2-[(4-phenylth…

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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) 3.45 7.78 -12.32 2 5 0 71 351.431 5 ↓

Analogs

740842
740842
740886
740886

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Popular Name: N-[2-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl]-3,5-dimethyl-benzamide N-[2-[[4-(4-methoxyphenyl)thiazo…

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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) 3.91 7.74 -13.16 2 6 0 80 395.484 6 ↓

Analogs

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Popular Name: 3-(difluoromethoxy)-N-[2-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]amino]-2-oxo-ethyl]benzamide 3-(difluoromethoxy)-N-[2-[[4-(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) 3.90 6.59 -16 2 7 0 90 447.463 8 ↓

Analogs

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Popular Name: N-[2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl]-3,5-dimethyl-benzamide N-[2-[[4-(3,4-dimethoxyphenyl)th…

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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) 3.50 7.65 -15.68 2 7 0 90 425.51 7 ↓

Analogs

14228053
14228053

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Popular Name: N-[(1R)-1-[(5-acetyl-4-phenyl-thiazol-2-yl)carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide N-[(1R)-1-[(5-acetyl-4-phenyl-th…

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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) 4.02 9.99 -15.27 2 6 0 88 439.512 7 ↓

Analogs

14228050
14228050

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Popular Name: N-[(1S)-1-[(5-acetyl-4-phenyl-thiazol-2-yl)carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide N-[(1S)-1-[(5-acetyl-4-phenyl-th…

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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) 4.02 9.82 -15.01 2 6 0 88 439.512 7 ↓

Analogs

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Popular Name: 4-butoxy-N-[2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl]benzamide 4-butoxy-N-[2-[[4-(3,4-dimethoxy…

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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) 4.17 8.14 -16.09 2 8 0 99 469.563 11 ↓

Analogs

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Popular Name: 2-chloro-N-[2-[[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]amino]-2-oxo-ethyl]benzamide 2-chloro-N-[2-[[4-(4-ethoxypheny…

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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) 4.31 8.44 -14 2 6 0 80 429.929 7 ↓

Analogs

14240971
14240971
36631188
36631188

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Popular Name: N-[(1S)-1-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide N-[(1S)-1-[[4-(2,5-dimethoxyphen…

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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) 3.93 8.47 -15.39 2 7 0 90 457.527 8 ↓

Analogs

36631188
36631188
14240970
14240970

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Popular Name: N-[(1R)-1-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide N-[(1R)-1-[[4-(2,5-dimethoxyphen…

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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) 3.93 8.58 -15.74 2 7 0 90 457.527 8 ↓

Analogs

14244168
14244168

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Popular Name: N-[(1S)-1-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-2-ethoxy-benzamide N-[(1S)-1-[[4-(2,5-dimethoxyphen…

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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) 4.75 9.74 -14.97 2 8 0 99 483.59 10 ↓

Analogs

14244167
14244167

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Popular Name: N-[(1R)-1-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-2-ethoxy-benzamide N-[(1R)-1-[[4-(2,5-dimethoxyphen…

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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) 4.75 9.79 -15.1 2 8 0 99 483.59 10 ↓

Analogs

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Popular Name: 2-methyl-N-[2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl]benzamide 2-methyl-N-[2-oxo-2-[(4-phenylth…

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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) 3.43 7.79 -11.63 2 5 0 71 351.431 5 ↓

Parameters Provided:

ring.id = 45585
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 = 45585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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