UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12000547
12000547
40170998
40170998
40170999
40170999
40171000
40171000
40171001
40171001

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Popular Name: (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-phenylthiazol-2-yl)propanamide (2R)-2-(6-methylpyrimidin-4-yl)s…

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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 -1.3 -10.6 1 5 0 68 356.476 5 ↓

Analogs

40170998
40170998
40170999
40170999
40171000
40171000
40171001
40171001
40171002
40171002

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Popular Name: (2S)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-phenylthiazol-2-yl)propanamide (2S)-2-(6-methylpyrimidin-4-yl)s…

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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 -1.29 -10.61 1 5 0 68 356.476 5 ↓

Analogs

40171639
40171639
40171640
40171640
40171892
40171892
40171893
40171893
40171894
40171894

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Popular Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-phenylthiazol-2-yl)acetamide 2-(2,6-dimethylpyrimidin-4-yl)su…

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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) 2.79 -2.16 -11.63 1 5 0 68 356.476 5 ↓

Analogs

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Popular Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]acetamide 2-(2,6-dimethylpyrimidin-4-yl)su…

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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) 3.99 10.45 -12.52 1 5 0 68 398.557 5 ↓
Hi High (pH 8-9.5) 4.18 9.38 -42.6 0 5 -1 74 397.549 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-phenylthiazol-2-yl)propanamide (2R)-2-(2,6-dimethylpyrimidin-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) 3.15 9.52 -12.45 1 5 0 68 370.503 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-phenylthiazol-2-yl)propanamide (2S)-2-(2,6-dimethylpyrimidin-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) 3.15 9.54 -12.43 1 5 0 68 370.503 5 ↓

Analogs

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Popular Name: (2R)-N-[4-(3,4-difluorophenyl)thiazol-2-yl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propanamide (2R)-N-[4-(3,4-difluorophenyl)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) 3.41 9.64 -14.04 1 5 0 68 406.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[4-(3,4-difluorophenyl)thiazol-2-yl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propanamide (2S)-N-[4-(3,4-difluorophenyl)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) 3.41 9.66 -12.73 1 5 0 68 406.483 5 ↓

Analogs

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Popular Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[4-(4-fluorophenyl)thiazol-2-yl]acetamide 2-(2,6-dimethylpyrimidin-4-yl)su…

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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 8.61 -12.91 1 5 0 68 374.466 5 ↓
Hi High (pH 8-9.5) 3.14 7.54 -39.36 0 5 -1 74 373.458 5 ↓

Parameters Provided:

ring.id = 70351
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 = 70351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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