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Analogs

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Popular Name: 4-(2-isopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)morpholine 4-(2-isopropyl-5,6-dimethyl-thie…

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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 7.7 -7.3 0 4 0 38 291.42 2 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2R)-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine N,N-dimethyl-1-[(2R)-4-(2,5,6-tr…

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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) 2.07 8.66 -39.89 1 5 1 43 321.47 3 ↓
Hi High (pH 8-9.5) 2.07 6.1 -7.96 0 5 0 41 320.462 3 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2S)-4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine N,N-dimethyl-1-[(2S)-4-(2,5,6-tr…

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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) 2.07 8.71 -39.62 1 5 1 43 321.47 3 ↓
Hi High (pH 8-9.5) 2.07 6.21 -8 0 5 0 41 320.462 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.64 6.54 -12.68 0 6 0 65 321.402 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.64 6.54 -12.44 0 6 0 65 321.402 5 ↓

Parameters Provided:

ring.id = 33642
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 = 33642 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=33642&filter.purchasability=annotated

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