UCSF
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Analogs

43702128
43702128

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Popular Name: 6-[(2R)-2-methylmorpholine-4-carbonyl]-2H-pyridazin-3-one 6-[(2R)-2-methylmorpholine-4-car…

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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) 0.03 -0.04 -35.27 0 6 -1 78 222.224 1 ↓
Lo Low (pH 4.5-6) -0.43 0.78 -9.97 1 6 0 75 223.232 1 ↓

Analogs

43702128
43702128

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Popular Name: 6-[(2S)-2-methylmorpholine-4-carbonyl]-2H-pyridazin-3-one 6-[(2S)-2-methylmorpholine-4-car…

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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) 0.03 -0.03 -35.5 0 6 -1 78 222.224 1 ↓
Lo Low (pH 4.5-6) -0.43 0.79 -10.03 1 6 0 75 223.232 1 ↓

Analogs

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Popular Name: (6-chloropyridazin-3-yl)-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone (6-chloropyridazin-3-yl)-[(6R)-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) 1.73 4.36 -6.11 0 5 0 55 269.732 1 ↓

Analogs

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Popular Name: (6-chloropyridazin-3-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (6-chloropyridazin-3-yl)-[(6S)-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) 1.73 4.35 -6.24 0 5 0 55 269.732 1 ↓

Analogs

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Popular Name: (6-chloropyridazin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone (6-chloropyridazin-3-yl)-(3,3-di…

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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) 1.37 3.32 -6.01 0 5 0 55 255.705 1 ↓

Parameters Provided:

ring.id = 108252
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 = 108252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=108252&filter.purchasability=annotated

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