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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: N-methyl-1-[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridazin-3-yl]methanamine N-methyl-1-[6-[(4R)-4-methyl-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) 2.09 6.14 -45.44 2 4 1 46 275.401 3 ↓
Hi High (pH 8-9.5) 2.09 4.68 -9.73 1 4 0 41 274.393 3 ↓
Lo Low (pH 4.5-6) 2.09 6.29 -102.47 3 4 2 47 276.409 3 ↓

Analogs

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Popular Name: N-methyl-1-[6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridazin-3-yl]methanamine N-methyl-1-[6-[(4S)-4-methyl-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) 2.09 6.96 -42.69 2 4 1 46 275.401 3 ↓
Hi High (pH 8-9.5) 2.09 5.51 -8.97 1 4 0 41 274.393 3 ↓
Lo Low (pH 4.5-6) 2.09 7.06 -99.59 3 4 2 47 276.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridazin-3-yl]methyl]ethanamine N-[[6-[(4S)-4-methyl-6,7-dihydro…

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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) 2.46 7.81 -41.83 2 4 1 46 289.428 4 ↓
Hi High (pH 8-9.5) 2.46 6.43 -7.34 1 4 0 41 288.42 4 ↓
Lo Low (pH 4.5-6) 2.46 7.91 -99.96 3 4 2 47 290.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridazin-3-yl]methyl]ethanamine N-[[6-[(4R)-4-methyl-6,7-dihydro…

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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) 2.46 6.99 -44.66 2 4 1 46 289.428 4 ↓
Hi High (pH 8-9.5) 2.46 5.61 -7.84 1 4 0 41 288.42 4 ↓
Lo Low (pH 4.5-6) 2.46 7.13 -102.97 3 4 2 47 290.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridazin-3-yl]methyl]propan-1-amine N-[[6-[(4S)-4-methyl-6,7-dihydro…

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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) 2.96 8.57 -42.6 2 4 1 46 303.455 5 ↓
Hi High (pH 8-9.5) 2.96 7.2 -7.19 1 4 0 41 302.447 5 ↓
Lo Low (pH 4.5-6) 2.96 8.66 -101.84 3 4 2 47 304.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridazin-3-yl]methyl]propan-1-amine N-[[6-[(4R)-4-methyl-6,7-dihydro…

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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) 2.96 7.75 -45.48 2 4 1 46 303.455 5 ↓
Hi High (pH 8-9.5) 2.96 6.38 -7.69 1 4 0 41 302.447 5 ↓
Lo Low (pH 4.5-6) 2.96 7.88 -105.01 3 4 2 47 304.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridazin-3-yl]methyl]propan-2-amine N-[[6-[(4R)-4-methyl-6,7-dihydro…

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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) 2.76 7.52 -42.51 2 4 1 46 303.455 4 ↓
Lo Low (pH 4.5-6) 2.76 7.67 -102.4 3 4 2 47 304.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridazin-3-yl]methyl]propan-2-amine N-[[6-[(4S)-4-methyl-6,7-dihydro…

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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) 2.76 8.34 -39.82 2 4 1 46 303.455 4 ↓
Lo Low (pH 4.5-6) 2.76 8.43 -99.24 3 4 2 47 304.463 4 ↓

Parameters Provided:

ring.id = 18352
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 = 18352 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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