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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: 6-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazine-3-carboxamide 6-chloro-N-[(4R)-4,5,6,7-tetrahy…

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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) 1.56 5.14 -7.47 1 4 0 55 293.779 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazine-3-carboxamide 6-chloro-N-[(4S)-4,5,6,7-tetrahy…

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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) 1.56 4.96 -7.81 1 4 0 55 293.779 2 ↓

Analogs

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Popular Name: 6-(methylamino)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazine-3-carboxamide 6-(methylamino)-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) 0.74 4.56 -33.72 3 5 1 68 289.384 3 ↓
Mid Mid (pH 6-8) 0.74 4.4 -9.77 2 5 0 67 288.376 3 ↓
Lo Low (pH 4.5-6) 0.74 4.62 -31.84 3 5 1 68 289.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(methylamino)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazine-3-carboxamide 6-(methylamino)-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) 0.74 4.4 -33.94 3 5 1 68 289.384 3 ↓
Mid Mid (pH 6-8) 0.74 4.23 -10.06 2 5 0 67 288.376 3 ↓
Lo Low (pH 4.5-6) 0.74 4.46 -32.19 3 5 1 68 289.384 3 ↓

Analogs

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Popular Name: 6-(ethylamino)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazine-3-carboxamide 6-(ethylamino)-N-[(4R)-4,5,6,7-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) 1.11 5.37 -33.09 3 5 1 68 303.411 4 ↓
Mid Mid (pH 6-8) 1.11 5.21 -9.15 2 5 0 67 302.403 4 ↓
Lo Low (pH 4.5-6) 1.11 5.44 -31.56 3 5 1 68 303.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(ethylamino)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazine-3-carboxamide 6-(ethylamino)-N-[(4S)-4,5,6,7-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) 1.11 5.21 -33.33 3 5 1 68 303.411 4 ↓
Mid Mid (pH 6-8) 1.11 5.04 -9.51 2 5 0 67 302.403 4 ↓
Lo Low (pH 4.5-6) 1.11 5.27 -31.96 3 5 1 68 303.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazine-3-carboxamide 6-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) 0.36 3.65 -36.24 4 5 1 82 275.357 2 ↓
Mid Mid (pH 6-8) 0.36 3.48 -10.04 3 5 0 81 274.349 2 ↓
Lo Low (pH 4.5-6) 0.36 3.71 -33.52 4 5 1 82 275.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazine-3-carboxamide 6-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) 0.36 3.48 -36.48 4 5 1 82 275.357 2 ↓
Mid Mid (pH 6-8) 0.36 3.32 -10.36 3 5 0 81 274.349 2 ↓
Lo Low (pH 4.5-6) 0.36 3.55 -33.83 4 5 1 82 275.357 2 ↓

Analogs

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Popular Name: 6-hydrazino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazine-3-carboxamide 6-hydrazino-N-[(4R)-4,5,6,7-tetr…

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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) 0.12 3.34 -11.03 4 6 0 93 289.364 3 ↓
Lo Low (pH 4.5-6) 0.12 3.57 -33.88 5 6 1 94 290.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-hydrazino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazine-3-carboxamide 6-hydrazino-N-[(4S)-4,5,6,7-tetr…

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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) 0.12 3.18 -11.28 4 6 0 93 289.364 3 ↓
Lo Low (pH 4.5-6) 0.12 3.41 -34.03 5 6 1 94 290.372 3 ↓

Parameters Provided:

ring.id = 212059
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 = 212059 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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