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Analogs

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Popular Name: N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazin-3-amine N-[(4R)-4,5,6,7-tetrahydrobenzot…

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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) 2.18 5.84 -8.62 1 3 0 38 231.324 2 ↓
Mid Mid (pH 6-8) 2.18 6 -34.35 2 3 1 39 232.332 2 ↓
Mid Mid (pH 6-8) 2.18 6.02 -31.13 2 3 1 39 232.332 2 ↓

Analogs

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Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazin-3-amine N-[(4S)-4,5,6,7-tetrahydrobenzot…

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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) 2.18 5.54 -8.05 1 3 0 38 231.324 2 ↓
Mid Mid (pH 6-8) 2.18 5.7 -33.58 2 3 1 39 232.332 2 ↓
Mid Mid (pH 6-8) 2.18 5.72 -30.41 2 3 1 39 232.332 2 ↓

Analogs

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Popular Name: 6-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazin-3-amine 6-methyl-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) 2.43 6.56 -30.53 2 3 1 39 246.359 2 ↓
Mid Mid (pH 6-8) 2.43 6.62 -29.76 2 3 1 39 246.359 2 ↓
Mid Mid (pH 6-8) 2.43 6.44 -8.89 1 3 0 38 245.351 2 ↓

Analogs

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Popular Name: 6-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazin-3-amine 6-methyl-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) 2.43 6.27 -29.59 2 3 1 39 246.359 2 ↓
Mid Mid (pH 6-8) 2.43 6.33 -28.88 2 3 1 39 246.359 2 ↓
Mid Mid (pH 6-8) 2.43 6.15 -8.29 1 3 0 38 245.351 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.28 6.41 -9.34 1 5 0 64 289.36 4 ↓
Lo Low (pH 4.5-6) 2.28 6.58 -30.54 2 5 1 65 290.368 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.28 6.13 -8.81 1 5 0 64 289.36 4 ↓
Lo Low (pH 4.5-6) 2.28 6.3 -29.76 2 5 1 65 290.368 4 ↓

Analogs

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Popular Name: 6-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazin-3-amine 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) 3.40 6.25 -7.95 1 3 0 38 265.769 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazin-3-amine 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) 3.40 5.95 -7.28 1 3 0 38 265.769 2 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridazine-4-carbonitrile 5,6-dimethyl-3-[[(4R)-4,5,6,7-te…

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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) 2.88 7.85 -7.31 1 4 0 62 284.388 2 ↓
Lo Low (pH 4.5-6) 2.88 7.97 -34.51 2 4 1 63 285.396 2 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridazine-4-carbonitrile 5,6-dimethyl-3-[[(4S)-4,5,6,7-te…

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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) 2.88 7.42 -7.79 1 4 0 62 284.388 2 ↓
Lo Low (pH 4.5-6) 2.88 7.54 -34.31 2 4 1 63 285.396 2 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridazine-4-carbothioamide 5,6-dimethyl-3-[[(4R)-4,5,6,7-te…

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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) 2.92 6.68 -14.56 3 4 0 64 318.471 3 ↓
Mid Mid (pH 6-8) 2.92 6.8 -39.33 4 4 1 65 319.479 3 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridazine-4-carbothioamide 5,6-dimethyl-3-[[(4S)-4,5,6,7-te…

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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) 2.92 6.2 -12.82 3 4 0 64 318.471 3 ↓
Mid Mid (pH 6-8) 2.92 6.32 -36.82 4 4 1 65 319.479 3 ↓

Analogs

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Popular Name: 6-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridazine-3-carboxylic 6-[[(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) 2.02 6.36 -51.96 1 5 -1 78 274.325 3 ↓
Mid Mid (pH 6-8) 2.02 6.48 -26.06 2 5 0 79 275.333 3 ↓

Analogs

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Popular Name: 6-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridazine-3-carboxylic 6-[[(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) 2.02 6.07 -52.01 1 5 -1 78 274.325 3 ↓
Mid Mid (pH 6-8) 2.02 6.2 -25.43 2 5 0 79 275.333 3 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridazine-4-carboxylic 5,6-dimethyl-3-[[(4R)-4,5,6,7-te…

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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 8.35 -39.83 2 5 0 79 303.387 3 ↓
Mid Mid (pH 6-8) 2.69 8.24 -48.82 1 5 -1 78 302.379 3 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridazine-4-carboxylic 5,6-dimethyl-3-[[(4S)-4,5,6,7-te…

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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 7.86 -39.08 2 5 0 79 303.387 3 ↓
Mid Mid (pH 6-8) 2.69 7.74 -50.02 1 5 -1 78 302.379 3 ↓

Parameters Provided:

ring.id = 211991
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 = 211991 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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