UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8063320
8063320
8063321
8063321
8063918
8063918
8063921
8063921
8063922
8063922

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Popular Name: 2-ethyl-N-(2-furylmethyl)-N-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine 2-ethyl-N-(2-furylmethyl)-N-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) 4.01 10.89 -10.38 0 4 0 42 327.453 4 ↓

Analogs

35892722
35892722
35524649
35524649
8063918
8063918

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Popular Name: N-(2-furylmethyl)-N-methyl-2-[(1R)-1-methylpropyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin- N-(2-furylmethyl)-N-methyl-2-[(1…

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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) 4.84 12.12 -10.2 0 4 0 42 355.507 5 ↓

Analogs

35524649
35524649
8063918
8063918
35892720
35892720

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-N-methyl-2-[(1S)-1-methylpropyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin- N-(2-furylmethyl)-N-methyl-2-[(1…

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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) 4.84 12.12 -10.17 0 4 0 42 355.507 5 ↓

Analogs

8063918
8063918
35552862
35552862

Draw Identity 99% 90% 80% 70%

Popular Name: 2-butyl-N-(2-furylmethyl)-N-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine 2-butyl-N-(2-furylmethyl)-N-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) 5.08 12.45 -10.02 0 4 0 42 355.507 6 ↓

Parameters Provided:

ring.id = 40548
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 = 40548 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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