UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34967072
34967072
34967073
34967073
34967167
34967167
34967168
34967168

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Popular Name: (4-benzyl-7,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-7,10-dien-2-yl)-(2-furyl)methanone (4-benzyl-7,8-dimethyl-9-thia-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) 3.69 1.92 -46.96 1 4 1 37 353.467 3 ↓

Analogs

19879539
19879539

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Popular Name: [7,8-dimethyl-4-(2,2,6,6-tetramethyl-4-piperidyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-7,10-dien-2-yl] [7,8-dimethyl-4-(2,2,6,6-tetrame…

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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) 4.09 1.01 -116.35 3 5 2 54 403.592 2 ↓

Analogs

568559
568559

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Popular Name: (3-cyclopentyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenyl-methanone (3-cyclopentyl-5,6-dimethyl-2,4-…

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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) 4.43 9.48 -11.67 0 3 0 24 340.492 2 ↓

Analogs

34967074
34967074
4276345
4276345

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Popular Name: (3-cyclopentyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-(2-furyl)methanone (3-cyclopentyl-5,6-dimethyl-2,4-…

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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) 3.69 8.12 -11.51 0 4 0 37 330.453 2 ↓

Analogs

34967074
34967074
4276345
4276345

Draw Identity 99% 90% 80% 70%

Popular Name: (3-cyclohexyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-(2-furyl)methanone (3-cyclohexyl-5,6-dimethyl-2,4-d…

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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) 4.20 8.6 -11.24 0 4 0 37 344.48 2 ↓

Parameters Provided:

ring.id = 222852
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 = 222852 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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