UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4960398
4960398
4960434
4960434
4960436
4960436
31791084
31791084
1284568
1284568

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Popular Name: (2S)-N-[4-(4-nitrophenyl)thiazol-2-yl]-2-(4-phenylphenoxy)propionamide (2S)-N-[4-(4-nitrophenyl)thiazol…

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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) 5.64 13.8 -16.72 1 7 0 97 445.5 7 ↓

Analogs

4960398
4960398
4960434
4960434
4960436
4960436
1284568
1284568
1284600
1284600

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Popular Name: (2R)-N-[4-(4-nitrophenyl)thiazol-2-yl]-2-(4-phenylphenoxy)propionamide (2R)-N-[4-(4-nitrophenyl)thiazol…

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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) 5.64 13.77 -16.75 1 7 0 97 445.5 7 ↓

Analogs

40881486
40881486
7641973
7641973

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Popular Name: N-[4-(4-fluorophenyl)thiazol-2-yl]-2-(4-phenylphenoxy)acetamide N-[4-(4-fluorophenyl)thiazol-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) 5.48 12.59 -14.86 1 4 0 51 404.466 6 ↓
Hi High (pH 8-9.5) 5.67 10.05 -42.17 0 4 -1 58 403.458 6 ↓

Analogs

40881492
40881492
40870239
40870239
6593469
6593469

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Popular Name: 2-(4-phenylphenoxy)-N-[4-(4-propoxyphenyl)thiazol-2-yl]acetamide 2-(4-phenylphenoxy)-N-[4-(4-prop…

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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) 6.26 13.54 -15.38 1 5 0 60 444.556 9 ↓
Hi High (pH 8-9.5) 6.44 11.01 -44.54 0 5 -1 67 443.548 9 ↓

Analogs

40881496
40881496
4075780
4075780
8770402
8770402

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Popular Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-(4-phenylphenoxy)acetamide N-[4-(3,4-dimethoxyphenyl)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) 4.97 11.72 -18.44 1 6 0 70 446.528 8 ↓
Hi High (pH 8-9.5) 5.15 9.17 -46.82 0 6 -1 76 445.52 8 ↓

Analogs

40881502
40881502
40870243
40870243

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Popular Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-2-(4-phenylphenoxy)acetamide N-[4-(3-nitrophenyl)thiazol-2-yl…

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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) 5.26 13.21 -19.83 1 7 0 97 431.473 7 ↓
Hi High (pH 8-9.5) 5.44 10.68 -49.46 0 7 -1 103 430.465 7 ↓

Analogs

40881505
40881505
646387
646387

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Popular Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-2-(4-phenylphenoxy)acetamide N-[4-(3,4-dimethylphenyl)thiazol…

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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) 6.15 13.74 -15.16 1 4 0 51 414.53 6 ↓
Hi High (pH 8-9.5) 6.33 11.19 -46.53 0 4 -1 58 413.522 6 ↓

Analogs

40881508
40881508
40870244
40870244

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Popular Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-2-(4-phenylphenoxy)acetamide N-[4-(2,4-dichlorophenyl)thiazol…

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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) 6.60 13.96 -14.58 1 4 0 51 455.366 6 ↓
Hi High (pH 8-9.5) 6.79 11.42 -43.15 0 4 -1 58 454.358 6 ↓

Analogs

40881511
40881511
41014692
41014692
41014885
41014885
6968873
6968873
40858451
40858451

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Popular Name: N-(5-methyl-4-phenyl-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide N-(5-methyl-4-phenyl-thiazol-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) 5.54 13.11 -15.28 1 4 0 51 400.503 6 ↓
Hi High (pH 8-9.5) 5.73 10.56 -47.77 0 4 -1 58 399.495 6 ↓

Analogs

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Popular Name: 2-(2-bromo-4-phenyl-phenoxy)-N-[4-(4-chlorophenyl)thiazol-2-yl]acetamide 2-(2-bromo-4-phenyl-phenoxy)-N-[…

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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) 6.74 13.69 -16.29 1 4 0 51 499.817 6 ↓
Hi High (pH 8-9.5) 6.92 11.17 -42.59 0 4 -1 58 498.809 6 ↓

Analogs

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Popular Name: 2-(2-bromo-4-phenyl-phenoxy)-N-[4-(4-fluorophenyl)thiazol-2-yl]acetamide 2-(2-bromo-4-phenyl-phenoxy)-N-[…

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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) 6.22 13.24 -16.75 1 4 0 51 483.362 6 ↓
Hi High (pH 8-9.5) 6.41 10.72 -42.64 0 4 -1 58 482.354 6 ↓

Analogs

40858652
40858652
40846601
40846601
40858414
40858414

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Popular Name: 2-(2-bromo-4-phenyl-phenoxy)-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide 2-(2-bromo-4-phenyl-phenoxy)-N-[…

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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) 6.11 12.47 -17.76 1 5 0 60 495.398 7 ↓
Hi High (pH 8-9.5) 6.30 9.95 -45.35 0 5 -1 67 494.39 7 ↓

Analogs

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Popular Name: 2-(2-bromo-4-phenyl-phenoxy)-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide 2-(2-bromo-4-phenyl-phenoxy)-N-[…

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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) 5.99 13.86 -21.49 1 7 0 97 510.369 7 ↓
Hi High (pH 8-9.5) 6.18 11.35 -50.34 0 7 -1 103 509.361 7 ↓

Analogs

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Popular Name: 2-(2-bromo-4-phenyl-phenoxy)-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]acetamide 2-(2-bromo-4-phenyl-phenoxy)-N-[…

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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) 6.88 14.39 -17.09 1 4 0 51 493.426 6 ↓
Hi High (pH 8-9.5) 7.07 11.87 -47.05 0 4 -1 58 492.418 6 ↓

Analogs

40858441
40858441

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Popular Name: 2-(2-bromo-4-phenyl-phenoxy)-N-(5-methyl-4-phenyl-thiazol-2-yl)acetamide 2-(2-bromo-4-phenyl-phenoxy)-N-(…

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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) 6.28 13.76 -17.1 1 4 0 51 479.399 6 ↓
Hi High (pH 8-9.5) 6.46 11.23 -48.2 0 4 -1 58 478.391 6 ↓

Parameters Provided:

ring.id = 229727
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 = 229727 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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