UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]thiadiazole-4-carboxamide N-(2-fluorophenyl)-N-[2-[(4-meth…

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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) 3.08 6.71 -16.88 1 7 0 84 400.435 7 ↓

Analogs

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Popular Name: N-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxami N-[2-[(4-fluorophenyl)methylamin…

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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) 3.95 8.07 -15.26 1 6 0 75 438.406 7 ↓

Analogs

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Popular Name: N-[2-(benzylamino)-2-oxo-ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide N-[2-(benzylamino)-2-oxo-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) 3.76 8.53 -13.23 1 6 0 75 420.416 7 ↓

Analogs

39981588
39981588
39981590
39981590
39981592
39981592

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Popular Name: N-[2-(benzylamino)-2-oxo-ethyl]-N-(p-tolyl)thiadiazole-4-carboxamide N-[2-(benzylamino)-2-oxo-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) 3.36 7.66 -13.11 1 6 0 75 366.446 6 ↓

Analogs

35289700
35289700
39981590
39981590

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Popular Name: N-[2-(benzylamino)-2-oxo-ethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide N-[2-(benzylamino)-2-oxo-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) 3.71 9.16 -11.97 1 6 0 75 380.473 6 ↓

Analogs

1346792
1346792

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Popular Name: N-[2-(benzylamino)-2-oxo-ethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide N-[2-(benzylamino)-2-oxo-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) 3.74 8.98 -13.55 1 6 0 75 380.473 6 ↓

Analogs

1346795
1346795

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Popular Name: N-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]thiadiazole-4-carboxamide N-(4-fluorophenyl)-N-[2-[(4-meth…

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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) 3.13 6.44 -14.67 1 7 0 84 400.435 7 ↓

Analogs

39981589
39981589
1346795
1346795

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Popular Name: N-(3-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]thiadiazole-4-carboxamide N-(3-fluorophenyl)-N-[2-[(4-meth…

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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) 3.11 6.44 -17.08 1 7 0 84 400.435 7 ↓

Analogs

39981591
39981591

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Popular Name: N-(3-acetylphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]thiadiazole-4-carboxamide N-(3-acetylphenyl)-N-[2-[(4-meth…

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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) 2.84 7.09 -17.64 1 8 0 101 424.482 8 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]thiadiazole-4-carboxamid N-(3-chloro-4-fluoro-phenyl)-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) 3.84 7.71 -15.51 1 6 0 75 422.844 6 ↓

Analogs

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Popular Name: N-[2-(benzylamino)-2-oxo-ethyl]-N-(3-chloro-4-fluoro-phenyl)thiadiazole-4-carboxamide N-[2-(benzylamino)-2-oxo-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) 3.68 7.63 -14.82 1 6 0 75 404.854 6 ↓

Analogs

4964720
4964720

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Popular Name: N-[2-(benzylamino)-2-oxo-ethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide N-[2-(benzylamino)-2-oxo-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) 3.03 7.41 -15.84 1 6 0 75 370.409 6 ↓

Parameters Provided:

ring.id = 253978
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 = 253978 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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