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Analogs

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Popular Name: N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]thiophene-2-carboxamide N-methyl-N-[2-[(5-methyl-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) 0.88 4.11 -25.12 1 6 0 75 296.377 4 ↓
Hi High (pH 8-9.5) 0.69 2.8 -55.38 0 6 -1 82 295.369 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-methyl-propyl]thiophene-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) 3.01 6.84 -16.65 2 6 0 84 366.512 8 ↓
Hi High (pH 8-9.5) 3.19 5.76 -43.4 1 6 -1 90 365.504 8 ↓

Analogs

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Popular Name: N-[(1R)-1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-methyl-propyl]thiophene-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) 3.01 6.86 -16.18 2 6 0 84 366.512 8 ↓
Hi High (pH 8-9.5) 3.19 5.79 -43.37 1 6 -1 90 365.504 8 ↓

Analogs

37111947
37111947
37111949
37111949
7278740
7278740
7278743
7278743

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Popular Name: N-[(1S)-2-methyl-1-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]propyl]thiophene-2-carboxamide N-[(1S)-2-methyl-1-[(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) 2.45 6.03 -15.89 2 6 0 84 352.485 7 ↓
Hi High (pH 8-9.5) 2.63 4.96 -43.31 1 6 -1 90 351.477 7 ↓

Analogs

37111947
37111947
37111949
37111949
7278740
7278740
7278743
7278743

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methyl-1-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]propyl]thiophene-2-carboxamide N-[(1R)-2-methyl-1-[(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) 2.45 6.08 -16.19 2 6 0 84 352.485 7 ↓
Hi High (pH 8-9.5) 2.63 5.01 -43.4 1 6 -1 90 351.477 7 ↓

Analogs

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Popular Name: N-[(1R)-1-[(5-isobutyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-methyl-propyl]thiophene-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) 2.69 6.67 -14.44 2 6 0 84 366.512 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]thiophene-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) 2.69 6.54 -15.04 2 6 0 84 366.512 7 ↓

Parameters Provided:

ring.id = 18919
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 = 18919 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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