UCSF
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Analogs

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Popular Name: [5,6-dimethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridazin-4-yl]methanamine [5,6-dimethyl-3-(1,3,4,5-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) 2.47 7.32 -61.16 3 4 1 57 283.399 2 ↓
Mid Mid (pH 6-8) 2.47 6.95 -9.5 2 4 0 55 282.391 2 ↓

Analogs

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Popular Name: [6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridazin-3-yl]methanol [6-(1,3,4,5-tetrahydro-2-benzaze…

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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) 1.95 5.41 -9.53 1 4 0 49 255.321 2 ↓

Analogs

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Popular Name: 2-[6-(chloromethyl)pyridazin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine 2-[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) 3.19 9.18 -10.09 0 3 0 29 273.767 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridazin-3-yl]methanamine [6-(1,3,4,5-tetrahydro-2-benzaze…

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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) 1.80 5.95 -47.22 3 4 1 57 255.345 2 ↓
Mid Mid (pH 6-8) 1.80 5.54 -8.95 2 4 0 55 254.337 2 ↓

Analogs

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Popular Name: N-methyl-1-[6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridazin-3-yl]methanamine N-methyl-1-[6-(1,3,4,5-tetrahydr…

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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) 2.17 7.82 -42.59 2 4 1 46 269.372 3 ↓
Hi High (pH 8-9.5) 2.17 6.37 -8.08 1 4 0 41 268.364 3 ↓

Analogs

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Popular Name: N-[[6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridazin-3-yl]methyl]ethanamine N-[[6-(1,3,4,5-tetrahydro-2-benz…

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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) 2.54 8.68 -41.76 2 4 1 46 283.399 4 ↓
Hi High (pH 8-9.5) 2.54 7.3 -7.87 1 4 0 41 282.391 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridazine-4-carbonitrile 5,6-dimethyl-3-(1,3,4,5-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) 3.04 9.56 -8.22 0 4 0 53 278.359 1 ↓

Analogs

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Popular Name: 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridazine-3-carboxylic 6-(1,3,4,5-tetrahydro-2-benzazep…

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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 8.51 -54.61 0 5 -1 69 268.296 2 ↓

Analogs

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Popular Name: 2-(6-chloropyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine 2-(6-chloropyridazin-3-yl)-1,3,4…

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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) 3.56 8.4 -9.13 0 3 0 29 259.74 1 ↓

Parameters Provided:

ring.id = 314351
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 = 314351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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