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Analogs

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Popular Name: [5,6-dimethyl-3-(1,4-thiazepan-4-yl)pyridazin-4-yl]methanamine [5,6-dimethyl-3-(1,4-thiazepan-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) 1.22 4.93 -58.13 3 4 1 57 253.395 2 ↓
Hi High (pH 8-9.5) 1.22 4.51 -8.33 2 4 0 55 252.387 2 ↓
Mid Mid (pH 6-8) 1.22 5.04 -108.8 4 4 2 58 254.403 2 ↓

Analogs

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Popular Name: [6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol [6-(1,4-thiazepan-4-yl)pyridazin…

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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) 0.70 3.04 -7.71 1 4 0 49 225.317 2 ↓
Lo Low (pH 4.5-6) 0.70 3.12 -28.22 2 4 1 50 226.325 2 ↓

Analogs

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Popular Name: 4-[6-(chloromethyl)pyridazin-3-yl]-1,4-thiazepane 4-[6-(chloromethyl)pyridazin-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) 1.93 6.82 -8.24 0 3 0 29 243.763 2 ↓
Lo Low (pH 4.5-6) 1.93 6.89 -31.54 1 3 1 30 244.771 2 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-(1,4-thiazepan-4-yl)pyridazine-4-carbothioamide 5,6-dimethyl-3-(1,4-thiazepan-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) 1.83 6 -13.15 2 4 0 55 282.438 2 ↓
Lo Low (pH 4.5-6) 1.83 6.13 -34.46 3 4 1 56 283.446 2 ↓

Analogs

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Popular Name: 6-(1,4-thiazepan-4-yl)pyridazine-3-carboxylic 6-(1,4-thiazepan-4-yl)pyridazine…

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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) 0.93 6.16 -51 0 5 -1 69 238.292 2 ↓
Mid Mid (pH 6-8) 0.93 6.28 -40.4 1 5 0 70 239.3 2 ↓

Analogs

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Popular Name: 4-(6-chloropyridazin-3-yl)-1,4-thiazepane 4-(6-chloropyridazin-3-yl)-1,4-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) 2.31 6.04 -7.2 0 3 0 29 229.736 1 ↓

Parameters Provided:

ring.id = 618507
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 = 618507 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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