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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-5-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-carboxamide 4-amino-5-methyl-N-[(4R)-4,5,6,7…

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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) 1.75 5.29 -8.79 3 3 0 55 292.429 2 ↓

Analogs

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Popular Name: 4-amino-5-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-carboxamide 4-amino-5-methyl-N-[(4S)-4,5,6,7…

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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) 1.75 5.12 -8.95 3 3 0 55 292.429 2 ↓

Analogs

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Popular Name: 3-amino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-carboxamide 3-amino-N-[(4R)-4,5,6,7-tetrahyd…

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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) 1.53 4.62 -8.89 3 3 0 55 278.402 2 ↓
Lo Low (pH 4.5-6) 1.53 4.46 -35.98 4 3 1 57 279.41 2 ↓

Analogs

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Popular Name: 3-amino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-carboxamide 3-amino-N-[(4S)-4,5,6,7-tetrahyd…

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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) 1.53 4.46 -8.83 3 3 0 55 278.402 2 ↓
Lo Low (pH 4.5-6) 1.53 4.3 -36.41 4 3 1 57 279.41 2 ↓

Analogs

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Popular Name: 5-bromo-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-carboxamide 5-bromo-N-[(4R)-4,5,6,7-tetrahyd…

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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) 3.05 7.28 -7.17 1 2 0 29 342.283 2 ↓

Analogs

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Popular Name: 5-bromo-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-carboxamide 5-bromo-N-[(4S)-4,5,6,7-tetrahyd…

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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) 3.05 7.12 -7.24 1 2 0 29 342.283 2 ↓

Analogs

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Popular Name: 5-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]carbamoyl]thiophene-2-carboxylic 5-[[(4R)-4,5,6,7-tetrahydrobenzo…

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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) 1.93 7.34 -45.16 1 4 -1 69 306.388 3 ↓

Analogs

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Popular Name: 5-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]carbamoyl]thiophene-2-carboxylic 5-[[(4S)-4,5,6,7-tetrahydrobenzo…

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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) 1.93 7.17 -45.73 1 4 -1 69 306.388 3 ↓

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(4R)…

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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) 1.92 5.56 -11.3 2 3 0 49 317.435 2 ↓

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(4S)…

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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) 1.92 5.39 -11.46 2 3 0 49 317.435 2 ↓

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(4R)-4…

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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) 1.36 5.86 -9.2 3 3 0 55 316.451 2 ↓
Mid Mid (pH 6-8) 1.36 6.27 -57.69 4 3 1 57 317.459 2 ↓

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiophene-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(4S)-4…

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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) 1.36 5.7 -9.43 3 3 0 55 316.451 2 ↓
Mid Mid (pH 6-8) 1.36 6.1 -57.31 4 3 1 57 317.459 2 ↓

Parameters Provided:

ring.id = 210826
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 = 210826 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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