UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39741868
39741868
39741870
39741870
39741872
39741872
39741874
39741874
39747326
39747326

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Popular Name: N-[1-[5-(4,5-dihydrothiazol-2-ylcarbamoylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide N-[1-[5-(4,5-dihydrothiazol-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) 1.04 5.6 -17.68 2 8 0 101 404.521 6 ↓
Mid Mid (pH 6-8) 1.04 5.91 -17.27 2 8 0 101 404.521 6 ↓
Mid Mid (pH 6-8) 1.04 6.73 -40.58 3 8 1 103 405.529 6 ↓

Analogs

39741868
39741868
39741870
39741870
39741872
39741872
39741874
39741874
39747326
39747326

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[5-(4,5-dihydrothiazol-2-ylcarbamoylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide N-[1-[5-(4,5-dihydrothiazol-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) 1.04 5.61 -17.7 2 8 0 101 404.521 6 ↓
Mid Mid (pH 6-8) 1.04 5.92 -17.32 2 8 0 101 404.521 6 ↓
Mid Mid (pH 6-8) 1.04 6.74 -40.57 3 8 1 103 405.529 6 ↓

Analogs

39751229
39751229
39751231
39751231
39753796
39753796
39753797
39753797
39758486
39758486

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Popular Name: N-[[5-(4,5-dihydrothiazol-2-ylcarbamoylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl- N-[[5-(4,5-dihydrothiazol-2-ylca…

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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) 0.90 5.6 -19.06 2 8 0 101 404.521 6 ↓
Mid Mid (pH 6-8) 0.90 6.73 -42.27 3 8 1 103 405.529 6 ↓
Mid Mid (pH 6-8) 0.90 5.91 -18.69 2 8 0 101 404.521 6 ↓

Analogs

39741868
39741868
39741870
39741870
39741872
39741872
39741874
39741874
39751229
39751229

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(4,5-dihydrothiazol-2-ylcarbamoylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methyl-b N-[[5-(4,5-dihydrothiazol-2-ylca…

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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) 1.28 6.48 -18.65 2 8 0 101 418.548 7 ↓
Mid Mid (pH 6-8) 1.28 7.61 -41.66 3 8 1 103 419.556 7 ↓

Parameters Provided:

ring.id = 248601
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 = 248601 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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