UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3R)-3-imidazol-1-yl-1-piperidyl]ethanone 2-[(7S)-5,7-dihydro-4H-thieno[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) 1.44 10.25 -36.8 1 5 1 49 332.449 3 ↓
Mid Mid (pH 6-8) 1.44 9.54 -13.71 0 5 0 47 331.441 3 ↓

Analogs

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Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]ethano 2-[(7R)-5,7-dihydro-4H-thieno[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) 1.53 10.02 -34.27 1 5 1 49 346.476 3 ↓
Mid Mid (pH 6-8) 1.53 9.54 -14.22 0 5 0 47 345.468 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]ethano 2-[(7R)-5,7-dihydro-4H-thieno[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) 1.53 10.02 -33.93 1 5 1 49 346.476 3 ↓
Mid Mid (pH 6-8) 1.53 9.54 -14.15 0 5 0 47 345.468 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]ethano 2-[(7S)-5,7-dihydro-4H-thieno[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) 1.53 10.02 -34 1 5 1 49 346.476 3 ↓
Mid Mid (pH 6-8) 1.53 9.54 -14.09 0 5 0 47 345.468 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]ethano 2-[(7S)-5,7-dihydro-4H-thieno[2,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.53 10.02 -34.29 1 5 1 49 346.476 3 ↓
Mid Mid (pH 6-8) 1.53 9.54 -14.3 0 5 0 47 345.468 3 ↓

Parameters Provided:

ring.id = 467879
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 = 467879 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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