UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41162090
41162090
41162091
41162091

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-1-[(2R)-4-thieno[3,2-d]pyrimidin-4-ylmorpholin-2-yl]methanamine N,N-dimethyl-1-[(2R)-4-thieno[3,…

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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) 1.39 6.8 -40.2 1 5 1 43 279.389 3 ↓
Hi High (pH 8-9.5) 1.39 4.27 -8.36 0 5 0 41 278.381 3 ↓
Lo Low (pH 4.5-6) 1.39 7.25 -77.06 2 5 2 44 280.397 3 ↓

Analogs

41162090
41162090
41162091
41162091

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-1-[(2S)-4-thieno[3,2-d]pyrimidin-4-ylmorpholin-2-yl]methanamine N,N-dimethyl-1-[(2S)-4-thieno[3,…

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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) 1.39 6.81 -42.59 1 5 1 43 279.389 3 ↓
Hi High (pH 8-9.5) 1.39 4.29 -8.37 0 5 0 41 278.381 3 ↓
Lo Low (pH 4.5-6) 1.39 7.3 -78.26 2 5 2 44 280.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Chloro-4-morpholinothieno[3,2-d]pyrimidine-6-carbaldehyde 2-Chloro-4-morpholinothieno[3,2-…

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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) 2.40 4.32 -9.76 0 5 0 55 283.74 2 ↓

Parameters Provided:

ring.id = 385974
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 = 385974 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=385974&filter.purchasability=annotated

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