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

Analogs

11975634
11975634
12132362
12132362
12132367
12132367

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methyl-thieno[4,5-e]pyrimidine-6-ca N-butyl-4-[[(3R)-2,3-dihydro-1,4…

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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) 3.67 -4 -10.95 2 7 0 85 412.515 7 ↓

Analogs

12132362
12132362
12132367
12132367
11975629
11975629

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methyl-thieno[4,5-e]pyrimidine-6-ca N-butyl-4-[[(3S)-2,3-dihydro-1,4…

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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) 3.67 -3.95 -10.88 2 7 0 85 412.515 7 ↓

Analogs

11996073
11996073
12026014
12026014
12026018
12026018
12028499
12028499
12028505
12028505

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methyl-thieno[4,5-e]pyrimidine N-tert-butyl-4-[[(3R)-2,3-dihydr…

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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) 3.42 -3.34 -10.75 2 7 0 85 412.515 5 ↓

Analogs

12026014
12026014
12026018
12026018
12028499
12028499
12028505
12028505
12077812
12077812

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methyl-thieno[4,5-e]pyrimidine N-tert-butyl-4-[[(3S)-2,3-dihydr…

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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) 3.42 -3.27 -10.63 2 7 0 85 412.515 5 ↓

Analogs

12026018
12026018
12028499
12028499
12028505
12028505
12031547
12031547
12031550
12031550

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N-diethyl-5-methyl-thieno[4,5-e]pyrimidine- 4-[[(3R)-2,3-dihydro-1,4-benzodi…

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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) 3.23 -1.68 -12.55 1 7 0 77 412.515 6 ↓

Analogs

12028499
12028499
12028505
12028505
12031547
12031547
12031550
12031550
12077812
12077812

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N-diethyl-5-methyl-thieno[4,5-e]pyrimidine- 4-[[(3S)-2,3-dihydro-1,4-benzodi…

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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) 3.23 -1.58 -12.31 1 7 0 77 412.515 6 ↓

Analogs

12028505
12028505
12077812
12077812
12077814
12077814
12132362
12132362
12132367
12132367

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-isopropyl-5-methyl-thieno[4,5-e]pyrimidine- 4-[[(3R)-2,3-dihydro-1,4-benzodi…

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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) 2.91 -3.69 -11.25 2 7 0 85 398.488 5 ↓

Analogs

12077812
12077812
12077814
12077814
12132362
12132362
11996072
11996072
11996073
11996073

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-isopropyl-5-methyl-thieno[4,5-e]pyrimidine- 4-[[(3S)-2,3-dihydro-1,4-benzodi…

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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) 2.91 -3.64 -11.14 2 7 0 85 398.488 5 ↓

Analogs

12031550
12031550
12026014
12026014
12026018
12026018

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N,5-trimethyl-thieno[4,5-e]pyrimidine-6-car 4-[[(3R)-2,3-dihydro-1,4-benzodi…

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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) 2.48 -2.42 -12.6 1 7 0 77 384.461 4 ↓

Analogs

12031547
12031547
12026014
12026014

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N,5-trimethyl-thieno[4,5-e]pyrimidine-6-car 4-[[(3S)-2,3-dihydro-1,4-benzodi…

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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) 2.48 -2.38 -12.44 1 7 0 77 384.461 4 ↓

Parameters Provided:

ring.id = 62828
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 = 62828 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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