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Analogs

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Popular Name: [6-[(3R)-3-methylthiomorpholin-4-yl]pyridazin-3-yl]methanol [6-[(3R)-3-methylthiomorpholin-4…

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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) 0.76 2.29 -7.05 1 4 0 49 225.317 2 ↓

Analogs

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Popular Name: [6-[(3S)-3-methylthiomorpholin-4-yl]pyridazin-3-yl]methanol [6-[(3S)-3-methylthiomorpholin-4…

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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) 0.76 2.29 -7.01 1 4 0 49 225.317 2 ↓

Analogs

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Popular Name: (3R)-4-[6-(chloromethyl)pyridazin-3-yl]-3-methyl-thiomorpholine (3R)-4-[6-(chloromethyl)pyridazi…

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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) 1.99 6.06 -7.69 0 3 0 29 243.763 2 ↓

Analogs

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Popular Name: (3S)-4-[6-(chloromethyl)pyridazin-3-yl]-3-methyl-thiomorpholine (3S)-4-[6-(chloromethyl)pyridazi…

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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) 1.99 6.06 -7.61 0 3 0 29 243.763 2 ↓

Analogs

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Popular Name: N-methyl-1-[6-[(3R)-3-methylthiomorpholin-4-yl]pyridazin-3-yl]methanamine N-methyl-1-[6-[(3R)-3-methylthio…

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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) 0.98 4.7 -44.47 2 4 1 46 239.368 3 ↓
Hi High (pH 8-9.5) 0.98 3.24 -7.75 1 4 0 41 238.36 3 ↓

Analogs

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Popular Name: N-methyl-1-[6-[(3S)-3-methylthiomorpholin-4-yl]pyridazin-3-yl]methanamine N-methyl-1-[6-[(3S)-3-methylthio…

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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) 0.98 4.7 -44.62 2 4 1 46 239.368 3 ↓
Hi High (pH 8-9.5) 0.98 3.25 -7.73 1 4 0 41 238.36 3 ↓

Analogs

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Popular Name: [6-[(3R)-3-methylthiomorpholin-4-yl]pyridazin-3-yl]methanamine [6-[(3R)-3-methylthiomorpholin-4…

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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) 0.60 2.82 -49.94 3 4 1 57 225.341 2 ↓
Hi High (pH 8-9.5) 0.60 2.42 -6.48 2 4 0 55 224.333 2 ↓

Analogs

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Popular Name: [6-[(3S)-3-methylthiomorpholin-4-yl]pyridazin-3-yl]methanamine [6-[(3S)-3-methylthiomorpholin-4…

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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) 0.60 2.83 -50.05 3 4 1 57 225.341 2 ↓
Hi High (pH 8-9.5) 0.60 2.42 -6.48 2 4 0 55 224.333 2 ↓

Analogs

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Popular Name: 6-[(3R)-3-methylthiomorpholin-4-yl]pyridazine-3-carboxylic 6-[(3R)-3-methylthiomorpholin-4-…

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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) 0.99 5.4 -46.92 0 5 -1 69 238.292 2 ↓

Analogs

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Popular Name: 6-[(3S)-3-methylthiomorpholin-4-yl]pyridazine-3-carboxylic 6-[(3S)-3-methylthiomorpholin-4-…

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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) 0.99 5.41 -46.93 0 5 -1 69 238.292 2 ↓

Analogs

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Popular Name: (3R)-4-(6-chloropyridazin-3-yl)-3-methyl-thiomorpholine (3R)-4-(6-chloropyridazin-3-yl)-…

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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) 2.37 5.29 -6.37 0 3 0 29 229.736 1 ↓

Analogs

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Popular Name: (3S)-4-(6-chloropyridazin-3-yl)-3-methyl-thiomorpholine (3S)-4-(6-chloropyridazin-3-yl)-…

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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) 2.37 5.28 -6.34 0 3 0 29 229.736 1 ↓

Analogs

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Popular Name: (3S)-4-(6-chloro-4,5-dimethyl-pyridazin-3-yl)-3-methyl-thiomorpholine (3S)-4-(6-chloro-4,5-dimethyl-py…

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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) 3.12 6.85 -7.59 0 3 0 29 257.79 1 ↓

Analogs

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Popular Name: (3R)-4-(6-chloro-4,5-dimethyl-pyridazin-3-yl)-3-methyl-thiomorpholine (3R)-4-(6-chloro-4,5-dimethyl-py…

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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) 3.12 6.73 -7.54 0 3 0 29 257.79 1 ↓

Analogs

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Popular Name: [6-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]pyridazin-3-yl]methanol [6-[(2S,6R)-2,6-dimethylthiomorp…

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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) 1.15 3.76 -8.09 1 4 0 49 239.344 2 ↓

Analogs

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Popular Name: [6-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]pyridazin-3-yl]methanol [6-[(2S,6S)-2,6-dimethylthiomorp…

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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) 1.15 4.02 -7.93 1 4 0 49 239.344 2 ↓

Analogs

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Popular Name: [6-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]pyridazin-3-yl]methanol [6-[(2R,6R)-2,6-dimethylthiomorp…

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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) 1.15 4.03 -7.55 1 4 0 49 239.344 2 ↓

Analogs

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Popular Name: (2S,6R)-4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethyl-thiomorpholine (2S,6R)-4-[6-(chloromethyl)pyrid…

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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) 2.39 7.54 -8.76 0 3 0 29 257.79 2 ↓

Analogs

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Popular Name: (2S,6S)-4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethyl-thiomorpholine (2S,6S)-4-[6-(chloromethyl)pyrid…

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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) 2.39 7.8 -8.64 0 3 0 29 257.79 2 ↓

Analogs

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Popular Name: (2R,6R)-4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethyl-thiomorpholine (2R,6R)-4-[6-(chloromethyl)pyrid…

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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) 2.39 7.8 -8.24 0 3 0 29 257.79 2 ↓

Analogs

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Popular Name: [6-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]pyridazin-3-yl]methanamine [6-[(2S,6R)-2,6-dimethylthiomorp…

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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) 1.00 4.3 -48.92 3 4 1 57 239.368 2 ↓
Hi High (pH 8-9.5) 1.00 3.9 -9.34 2 4 0 55 238.36 2 ↓

Analogs

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Popular Name: [6-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]pyridazin-3-yl]methanamine [6-[(2S,6S)-2,6-dimethylthiomorp…

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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) 1.00 4.56 -48.85 3 4 1 57 239.368 2 ↓
Hi High (pH 8-9.5) 1.00 4.16 -9.27 2 4 0 55 238.36 2 ↓

Analogs

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Popular Name: [6-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]pyridazin-3-yl]methanamine [6-[(2R,6R)-2,6-dimethylthiomorp…

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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) 1.00 4.57 -48.45 3 4 1 57 239.368 2 ↓
Hi High (pH 8-9.5) 1.00 4.16 -8.78 2 4 0 55 238.36 2 ↓

Analogs

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Popular Name: (2S,6R)-4-(6-chloropyridazin-3-yl)-2,6-dimethyl-thiomorpholine (2S,6R)-4-(6-chloropyridazin-3-y…

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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 6.76 -7.68 0 3 0 29 243.763 1 ↓

Analogs

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Popular Name: (2S,6S)-4-(6-chloropyridazin-3-yl)-2,6-dimethyl-thiomorpholine (2S,6S)-4-(6-chloropyridazin-3-y…

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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 7.02 -7.68 0 3 0 29 243.763 1 ↓

Analogs

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Popular Name: (2R,6R)-4-(6-chloropyridazin-3-yl)-2,6-dimethyl-thiomorpholine (2R,6R)-4-(6-chloropyridazin-3-y…

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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 7.02 -7.27 0 3 0 29 243.763 1 ↓

Analogs

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Popular Name: 6-(thiomorpholin-4-yl)-2,3-dihydropyridazin-3-one 6-(thiomorpholin-4-yl)-2,3-dihyd…

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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) 1.14 1.46 -47.3 0 4 -1 52 196.255 1 ↓
Mid Mid (pH 6-8) 0.68 3.17 -10.39 1 4 0 49 197.263 1 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 445441 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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