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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9697969
9697969

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Popular Name: benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[[2-(2-ethoxyethoxy)phenyl]amino]thioxomethyl]- benzo[b]thiophene-2-carboxamide,…

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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) 4.47 -3.07 -18.75 2 5 0 59 434.97 9 ↓

Analogs

675611
675611

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Popular Name: benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[[4-[(methylamino)carbonyl]phenyl]amino]thioxomethyl]- benzo[b]thiophene-2-carboxamide,…

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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) 3.39 7.71 -26.88 3 5 0 70 403.916 5 ↓

Analogs

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Popular Name: 3-chloro-N-{[(2,3-dichlorophenyl)amino]carbonothioyl}-1-benzothiophene-2-carboxamide 3-chloro-N-{[(2,3-dichlorophenyl…

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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) 5.45 -2.74 -14.31 2 3 0 41 415.754 4 ↓

Analogs

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Popular Name: benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[(3-chloro-4-methoxyphenyl)amino]thioxomethyl]- benzo[b]thiophene-2-carboxamide,…

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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) 4.86 9.29 -21.35 2 4 0 50 411.335 5 ↓

Analogs

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Popular Name: benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[[2-[[(1-methylethyl)amino]carbonyl]phenyl]amino]thioxomethyl]- benzo[b]thiophene-2-carboxamide,…

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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) 4.01 9.84 -18.4 3 5 0 70 431.97 6 ↓

Analogs

14275257
14275257

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Popular Name: benzo[b]thiophene-2-carboxamide, N-[[(2-bromo-4-nitrophenyl)amino]thioxomethyl]-3-chloro- benzo[b]thiophene-2-carboxamide,…

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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) 4.89 10.9 -15.61 2 6 0 87 470.757 5 ↓

Analogs

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Popular Name: benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[[2-[(propylamino)carbonyl]phenyl]amino]thioxomethyl]- benzo[b]thiophene-2-carboxamide,…

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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) 4.22 9.79 -18.37 3 5 0 70 431.97 7 ↓

Analogs

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Popular Name: benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[(4-chloro-2-nitrophenyl)amino]thioxomethyl]- benzo[b]thiophene-2-carboxamide,…

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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) 4.76 11.01 -14.22 2 6 0 87 426.306 5 ↓

Analogs

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Popular Name: benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[[2-[(ethylamino)carbonyl]phenyl]amino]thioxomethyl]- benzo[b]thiophene-2-carboxamide,…

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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) 3.72 9.03 -18.5 3 5 0 70 417.943 6 ↓

Analogs

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Popular Name: benzo[b]thiophene-2-carboxamide, N-[[(3-bromophenyl)amino]thioxomethyl]-3-chloro- benzo[b]thiophene-2-carboxamide,…

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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) 4.98 10.06 -18.92 2 3 0 41 425.76 4 ↓

Analogs

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Popular Name: benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[[3-[(dipropylamino)carbonyl]phenyl]amino]thioxomethyl]- benzo[b]thiophene-2-carboxamide,…

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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) 4.89 12.66 -20.8 2 5 0 61 474.051 9 ↓

Analogs

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Popular Name: benzo[b]thiophene-2-carboxamide, N-[[[3-(acetylamino)-4-methylphenyl]amino]thioxomethyl]-3-chloro- benzo[b]thiophene-2-carboxamide,…

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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) 3.79 9.21 -20.27 3 5 0 70 417.943 5 ↓

Analogs

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Popular Name: benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[[4-[3-(methylamino)-3-oxopropyl]phenyl]amino]thioxomethyl]- benzo[b]thiophene-2-carboxamide,…

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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) 4.00 9.26 -22.01 3 5 0 70 431.97 7 ↓

Analogs

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Popular Name: benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[(3,4-dimethoxyphenyl)amino]thioxomethyl]- benzo[b]thiophene-2-carboxamide,…

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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 8.69 -19.74 2 5 0 60 406.916 6 ↓

Analogs

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Popular Name: benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[(2-methoxy-4-nitrophenyl)amino]thioxomethyl]- benzo[b]thiophene-2-carboxamide,…

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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) 4.14 9.59 -17.69 2 7 0 96 421.887 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzo[b]thiophene-2-carboxamide, N-[[(2-bromo-4-methylphenyl)amino]thioxomethyl]-3-chloro- benzo[b]thiophene-2-carboxamide,…

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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) 5.38 10.9 -14.57 2 3 0 41 439.787 4 ↓

Parameters Provided:

ring.id = 9418
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 = 9418 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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