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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-bromo-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]furan-2-carboxamide 5-bromo-N-[2-oxo-2-[(5-propyl-1,…

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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) 2.00 3.51 -17.37 2 7 0 97 373.232 6 ↓
Hi High (pH 8-9.5) 1.82 2.45 -41.19 1 7 -1 103 372.224 6 ↓

Analogs

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Popular Name: N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide N-methyl-N-[2-oxo-2-(1,3,4-thiad…

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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) 0.52 2.78 -26.3 1 7 0 88 266.282 4 ↓
Hi High (pH 8-9.5) 0.34 1.71 -51.73 0 7 -1 95 265.274 4 ↓

Analogs

23361875
23361875
23361878
23361878
29088764
29088764
29088767
29088767
21288172
21288172

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Popular Name: N-[(1R)-2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-2-[(5-butyl-1,3,4-thiadi…

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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) 1.59 4.42 -18.7 2 7 0 97 322.39 7 ↓
Hi High (pH 8-9.5) 1.77 3.35 -44.35 1 7 -1 103 321.382 7 ↓

Analogs

23361875
23361875
23361878
23361878
29088764
29088764
29088767
29088767
21288172
21288172

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Popular Name: N-[(1S)-2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide N-[(1S)-2-[(5-butyl-1,3,4-thiadi…

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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) 1.59 4.42 -18.73 2 7 0 97 322.39 7 ↓
Hi High (pH 8-9.5) 1.77 3.35 -44.45 1 7 -1 103 321.382 7 ↓

Analogs

23361878
23361878
23361033
23361033
23361036
23361036

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Popular Name: N-[(1S)-1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1S)-1-[(5-butyl-1,3,4-thiadi…

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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) 2.37 5.76 -16.72 2 7 0 97 350.444 8 ↓
Hi High (pH 8-9.5) 2.55 4.72 -44.32 1 7 -1 103 349.436 8 ↓

Analogs

23361033
23361033
23361036
23361036
23361875
23361875

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[(5-butyl-1,3,4-thiadi…

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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) 2.37 5.98 -17.5 2 7 0 97 350.444 8 ↓
Hi High (pH 8-9.5) 2.55 4.92 -44.11 1 7 -1 103 349.436 8 ↓

Analogs

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Popular Name: N-[2-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[2-[[5-(1-ethylpropyl)-1,3,4-t…

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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) 1.73 3.91 -18.56 2 7 0 97 322.39 7 ↓
Hi High (pH 8-9.5) 1.55 2.85 -45.13 1 7 -1 103 321.382 7 ↓

Analogs

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Popular Name: N-[2-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]furan-2-carboxamide N-[2-[(5-isopropyl-1,3,4-thiadia…

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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) 1.05 2.63 -18.89 2 7 0 97 294.336 5 ↓
Hi High (pH 8-9.5) 0.86 1.56 -44.41 1 7 -1 103 293.328 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[(5-isobutyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[(5-isobutyl-1,3,4-thi…

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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) 2.05 5.66 -16.25 2 7 0 97 350.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(5-isobutyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-methyl-propyl]furan-2-carboxamide N-[(1S)-1-[(5-isobutyl-1,3,4-thi…

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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) 2.05 5.73 -15.7 2 7 0 97 350.444 7 ↓

Parameters Provided:

ring.id = 120377
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 = 120377 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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