UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37842374
37842374

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Popular Name: N-(3-morpholinopropyl)-1H-pyrazole-4-carboxamide N-(3-morpholinopropyl)-1H-pyrazo…

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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) -0.41 -0.7 -10.71 2 6 0 70 238.291 5 ↓
Mid Mid (pH 6-8) -0.41 1.58 -46.56 3 6 1 71 239.299 5 ↓

Analogs

37842375
37842375

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Popular Name: 3,5-dimethyl-N-(3-morpholinopropyl)-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-(3-morpholinoprop…

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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 0.38 -10.99 2 6 0 70 266.345 5 ↓
Mid Mid (pH 6-8) 0.03 2.65 -47.47 3 6 1 71 267.353 5 ↓

Analogs

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Popular Name: 5-methyl-N-(3-morpholinopropyl)-1H-pyrazole-4-carboxamide 5-methyl-N-(3-morpholinopropyl)-…

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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) -0.19 -0.12 -9.91 2 6 0 70 252.318 5 ↓
Mid Mid (pH 6-8) -0.19 2.18 -51.01 3 6 1 71 253.326 5 ↓

Parameters Provided:

ring.id = 82649
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 = 82649 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=82649&filter.purchasability=annotated

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