UCSF
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Analogs

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Popular Name: (3,6-dichloropyridazin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (3,6-dichloropyridazin-4-yl)-[(3…

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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) 0.61 0.27 -9.18 1 5 0 66 262.096 1 ↓

Analogs

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Popular Name: (3,6-dichloropyridazin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (3,6-dichloropyridazin-4-yl)-[(3…

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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) 0.61 0.25 -11.01 1 5 0 66 262.096 1 ↓

Analogs

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Popular Name: (3S)-1-(3,6-dichloropyridazine-4-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(3,6-dichloropyridazine-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) 1.11 4.58 -48.32 0 6 -1 86 303.125 2 ↓

Analogs

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Popular Name: (3R)-1-(3,6-dichloropyridazine-4-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(3,6-dichloropyridazine-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) 1.11 4.67 -45.05 0 6 -1 86 303.125 2 ↓

Analogs

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Popular Name: (3S)-1-(3,6-dichloropyridazine-4-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(3,6-dichloropyridazine-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) 1.45 5.13 -36.74 0 6 -1 86 317.152 3 ↓

Analogs

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Popular Name: (3R)-1-(3,6-dichloropyridazine-4-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(3,6-dichloropyridazine-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) 1.45 5.17 -44.42 0 6 -1 86 317.152 3 ↓

Analogs

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Popular Name: (3S)-1-(3,6-dichloropyridazine-4-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(3,6-dichloropyridazine-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) 2.01 5.88 -36.89 0 6 -1 86 331.179 4 ↓

Analogs

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Popular Name: (3R)-1-(3,6-dichloropyridazine-4-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(3,6-dichloropyridazine-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) 2.01 5.94 -44.6 0 6 -1 86 331.179 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-(3,6-dichloropyridazine-4-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(3,6-dichloropyridazin…

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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) 1.03 6.04 -59.15 0 6 -1 86 303.125 3 ↓

Analogs

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Popular Name: 2-[(2S)-1-(3,6-dichloropyridazine-4-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(3,6-dichloropyridazin…

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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) 1.03 5.63 -60.49 0 6 -1 86 303.125 3 ↓

Analogs

42433253
42433253

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Popular Name: (3,6-dichloropyridazin-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (3,6-dichloropyridazin-4-yl)-[(2…

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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) 0.88 2.56 -11.3 1 5 0 66 276.123 2 ↓

Analogs

42433252
42433252

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Popular Name: (3,6-dichloropyridazin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (3,6-dichloropyridazin-4-yl)-[(2…

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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) 0.88 2.61 -11.09 1 5 0 66 276.123 2 ↓

Parameters Provided:

ring.id = 8702
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 = 8702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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