UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12022065
12022065

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Popular Name: N-[(1R)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-thiazole-4-carboxamide N-[(1R)-1-(5-ethylsulfanyl-4-met…

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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) 0.89 -1.73 -11.47 1 6 0 73 311.436 5 ↓

Analogs

12022060
12022060

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Popular Name: N-[(1S)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-thiazole-4-carboxamide N-[(1S)-1-(5-ethylsulfanyl-4-met…

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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) 0.89 -1.73 -11.5 1 6 0 73 311.436 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiazole-4-carboxamide N-[(1S)-1-(4-methyl-1,2,4-triazo…

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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) -0.12 3.25 -14.77 1 6 0 73 237.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiazole-4-carboxamide N-[(1R)-1-(4-methyl-1,2,4-triazo…

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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) -0.12 3.26 -14.8 1 6 0 73 237.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiazole-4-carboxamide N-[(4-methyl-1,2,4-triazol-3-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) -0.67 2.58 -15.34 1 6 0 73 223.261 3 ↓

Analogs

37989072
37989072

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Popular Name: 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiazole-4-carboxamide 2-methyl-N-[(4-methyl-1,2,4-tria…

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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) -0.96 3.31 -15 1 6 0 73 237.288 3 ↓

Analogs

37989072
37989072

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-thiazole-4-carboxamide N-[(4-ethyl-1,2,4-triazol-3-yl)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) -0.58 4.2 -14.41 1 6 0 73 251.315 4 ↓

Analogs

37017450
37017450
37017550
37017550

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Popular Name: 2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiazole-4-carboxamide 2-methyl-N-[(1S)-1-(4-methyl-1,2…

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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) -0.40 3.98 -14.47 1 6 0 73 251.315 3 ↓

Analogs

37017450
37017450
37017550
37017550

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiazole-4-carboxamide 2-methyl-N-[(1R)-1-(4-methyl-1,2…

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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) -0.40 3.99 -14.5 1 6 0 73 251.315 3 ↓

Parameters Provided:

ring.id = 75899
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 = 75899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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