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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-bromo-N-cyclopropyl-N-(3-thienylmethyl)thiophene-2-carboxamide 3-bromo-N-cyclopropyl-N-(3-thien…

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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 7.82 -9.87 0 2 0 20 342.283 4 ↓

Analogs

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Popular Name: 4-amino-N-cyclopropyl-5-methyl-N-(3-thienylmethyl)thiophene-2-carboxamide 4-amino-N-cyclopropyl-5-methyl-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) 2.26 6.03 -9.33 2 3 0 46 292.429 4 ↓
Lo Low (pH 4.5-6) 2.26 5.84 -46.51 3 3 1 48 293.437 4 ↓

Analogs

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Popular Name: 5-[cyclopropyl(3-thienylmethyl)carbamoyl]thiophene-2-carboxylic 5-[cyclopropyl(3-thienylmethyl)c…

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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) 2.44 8.12 -49.97 0 4 -1 60 306.388 5 ↓

Analogs

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Popular Name: 4,5-dibromo-N-cyclopropyl-N-(3-thienylmethyl)thiophene-2-carboxamide 4,5-dibromo-N-cyclopropyl-N-(3-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) 4.30 8.51 -8.25 0 2 0 20 421.179 4 ↓

Analogs

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Popular Name: N-cyclopropyl-4-methyl-N-(3-thienylmethyl)thiophene-2-carboxamide N-cyclopropyl-4-methyl-N-(3-thie…

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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) 3.00 7.99 -9.53 0 2 0 20 277.414 4 ↓

Analogs

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Popular Name: 5-chloro-N-cyclopropyl-N-(3-thienylmethyl)thiophene-2-carboxamide 5-chloro-N-cyclopropyl-N-(3-thie…

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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) 3.43 7.94 -8.12 0 2 0 20 297.832 4 ↓

Analogs

44446500
44446500
44447068
44447068
42269010
42269010
40304415
40304415

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-cyclopropyl-N-(3-thienylmethyl)thiophene-2-carboxamide 3-amino-N-cyclopropyl-N-(3-thien…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.04 5.21 -8.28 2 3 0 46 278.402 4 ↓
Lo Low (pH 4.5-6) 2.04 5.08 -35.97 3 3 1 48 279.41 4 ↓

Parameters Provided:

ring.id = 472628
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 = 472628 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=472628&filter.purchasability=annotated

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