UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12000530
12000530

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Popular Name: (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-thiazol-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) 1.39 -1.7 -13.3 1 5 0 68 280.378 4 ↓

Analogs

12000528
12000528

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Popular Name: (2S)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-thiazol-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) 1.39 -1.69 -13.29 1 5 0 68 280.378 4 ↓

Analogs

12000539
12000539
40171191
40171191
40171192
40171192

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Popular Name: (2R)-N-(4,5-dimethylthiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide (2R)-N-(4,5-dimethylthiazol-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) 1.84 -1.53 -13.63 1 5 0 68 308.432 4 ↓

Analogs

40171191
40171191
40171192
40171192
12000536
12000536

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Popular Name: (2S)-N-(4,5-dimethylthiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide (2S)-N-(4,5-dimethylthiazol-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) 1.84 -1.52 -13.7 1 5 0 68 308.432 4 ↓

Analogs

12000660
12000660
40171193
40171193
40171194
40171194

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Popular Name: (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-thiazol-2-yl-butanamide (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) 1.90 -1.41 -12.95 1 5 0 68 294.405 5 ↓

Analogs

40171193
40171193
40171194
40171194
12000655
12000655

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Popular Name: (2S)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-thiazol-2-yl-butanamide (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) 1.90 -1.81 -14.28 1 5 0 68 294.405 5 ↓

Analogs

40171214
40171214
40171215
40171215
40171216
40171216
40171219
40171219
40171528
40171528

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Popular Name: isobutyl isobutyl

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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) 2.45 -1.2 -10.91 1 7 0 94 380.495 8 ↓

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) 1.41 -1.76 -11.71 1 7 0 94 352.441 6 ↓

Analogs

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Popular Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methylthiazol-2-yl)acetamide 2-(6-methylpyrimidin-4-yl)sulfan…

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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) 1.25 -2.36 -10.1 1 5 0 68 280.378 4 ↓

Analogs

40171214
40171214
40171215
40171215
40171216
40171216
40171217
40171217
40171219
40171219

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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) 1.70 -1.6 -11.23 1 7 0 94 352.441 7 ↓

Analogs

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Popular Name: N-(5-acetyl-4-methyl-thiazol-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-acetamide N-(5-acetyl-4-methyl-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) 1.48 -2.19 -16.35 1 6 0 85 336.442 5 ↓

Parameters Provided:

ring.id = 70344
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 = 70344 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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