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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8063322
8063322

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Popular Name: N-(2-furylmethyl)-2-isopropyl-N,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-amine N-(2-furylmethyl)-2-isopropyl-N,…

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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) 3.92 10.25 -10.66 0 4 0 42 315.442 4 ↓

Analogs

8063322
8063322

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Popular Name: 2-ethyl-N-(2-furylmethyl)-N,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-amine 2-ethyl-N-(2-furylmethyl)-N,5,6-…

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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) 3.44 9.67 -10.73 0 4 0 42 301.415 4 ↓

Analogs

21651046
21651046
1942375
1942375

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Popular Name: isopropyl 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) 3.12 0.38 -8.11 1 6 0 77 331.397 6 ↓

Analogs

14968339
14968339

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-furylmethylamino)-N-isopentyl-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-(2-furylmethylamino)-N-isopent…

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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) 3.40 -2.21 -8.65 2 6 0 80 358.467 7 ↓

Analogs

12028061
12028061
12080165
12080165

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Popular Name: 4-(2-furylmethylamino)-5-methyl-N-sec-butyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-(2-furylmethylamino)-5-methyl-…

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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) 2.95 -1.83 -8.88 2 6 0 80 344.44 6 ↓

Analogs

12080165
12080165
12028058
12028058

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Popular Name: 4-(2-furylmethylamino)-5-methyl-N-sec-butyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-(2-furylmethylamino)-5-methyl-…

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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) 2.95 -1.83 -8.93 2 6 0 80 344.44 6 ↓

Analogs

12031637
12031637
12570884
12570884

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Popular Name: 4-(2-furylmethylamino)-N-isopropyl-N,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-(2-furylmethylamino)-N-isoprop…

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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) 2.66 -0.41 -9.9 1 6 0 71 344.44 5 ↓

Analogs

12029636
12029636

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Popular Name: N-tert-butyl-4-(2-furylmethylamino)-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide N-tert-butyl-4-(2-furylmethylami…

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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) 2.93 -1.84 -8.49 2 6 0 80 344.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-furylmethylamino)-N-(3-isopropoxypropyl)-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-(2-furylmethylamino)-N-(3-isop…

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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) 2.74 -3.07 -9.56 2 7 0 89 388.493 9 ↓

Analogs

12190321
12190321

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

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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) 2.39 -2.27 -8.75 2 6 0 80 328.397 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-furylmethylamino)-5-methyl-N-(3-methylsulfanylpropyl)thieno[4,5-e]pyrimidine-6-carboxamide 4-(2-furylmethylamino)-5-methyl-…

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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 -3.02 -9.7 2 6 0 80 376.507 8 ↓

Analogs

12470166
12470166

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

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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) 2.65 0.08 -11.88 1 7 0 80 388.493 8 ↓

Analogs

12185511
12185511
20855667
20855667
55211800
55211800

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Popular Name: N-(2-diethylaminoethyl)-4-(2-furylmethylamino)-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide N-(2-diethylaminoethyl)-4-(2-fur…

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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) 2.53 -2.06 -42.59 3 7 1 84 388.517 9 ↓

Analogs

12283584
12283584

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-furylmethylamino)-N-(2-methoxyethyl)-N,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-(2-furylmethylamino)-N-(2-meth…

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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) 1.97 -0.79 -12.48 1 7 0 80 360.439 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-furylmethylamino)-N-(2-hydroxy-1,1-dimethyl-ethyl)-5-methyl-thieno[4,5-e]pyrimidine-6-carboxami 4-(2-furylmethylamino)-N-(2-hydr…

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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) 1.92 -4.54 -10.23 3 7 0 100 360.439 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-furyl)methyl]-N-methyl-thieno[2,3-d]pyrimidin-4-amine N-[(5-bromo-2-furyl)methyl]-N-me…

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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) 3.11 8.05 -8.1 0 4 0 42 324.203 3 ↓

Parameters Provided:

ring.id = 31642
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 = 31642 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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