UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11910723
11910723
12001246
12001246

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Popular Name: N-butyl-4-(cyclopropylamino)-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide N-butyl-4-(cyclopropylamino)-5-m…

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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) 2.89 -3.36 -7.4 2 5 0 67 304.419 6 ↓

Analogs

12121882
12121882

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Popular Name: 4-(cyclopropylamino)-N-isopropyl-N,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-(cyclopropylamino)-N-isopropyl…

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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) 2.37 -1.24 -8.54 1 5 0 58 304.419 4 ↓

Analogs

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Popular Name: 4-(cyclopropylamino)-N-(2-methoxyethyl)-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-(cyclopropylamino)-N-(2-methox…

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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) 1.44 -4.22 -8.52 2 6 0 76 306.391 6 ↓

Analogs

15068208
15068208
11813505
11813505
11910723
11910723

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Popular Name: N-butyl-4-(cyclopropylamino)-N,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxamide N-butyl-4-(cyclopropylamino)-N,5…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.14 -1.27 -8.7 1 5 0 58 318.446 6 ↓

Parameters Provided:

ring.id = 31680
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 = 31680 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=31680&filter.purchasability=annotated

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