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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 7-[2-[(1S,2R)-2-methylcyclohexoxy]ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[2-[(1S,2R)-2-methylcyclohexox…

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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) 2.21 9.07 -40.92 1 4 1 39 276.404 4 ↓
Mid Mid (pH 6-8) 2.21 6.74 -5.57 0 4 0 38 275.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-[(1S,2S)-2-methylcyclohexoxy]ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[2-[(1S,2S)-2-methylcyclohexox…

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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) 2.21 8.93 -40.48 1 4 1 39 276.404 4 ↓
Mid Mid (pH 6-8) 2.21 6.59 -5.99 0 4 0 38 275.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-[(1R,2R)-2-methylcyclohexoxy]ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[2-[(1R,2R)-2-methylcyclohexox…

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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) 2.21 8.93 -40.49 1 4 1 39 276.404 4 ↓
Mid Mid (pH 6-8) 2.21 6.58 -5.71 0 4 0 38 275.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-[(1R,2S)-2-methylcyclohexoxy]ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[2-[(1R,2S)-2-methylcyclohexox…

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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) 2.21 9.07 -40.99 1 4 1 39 276.404 4 ↓
Mid Mid (pH 6-8) 2.21 6.73 -5.42 0 4 0 38 275.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-7-[2-[(1R,2S)-2-methylcyclohexoxy]ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 2-methyl-7-[2-[(1R,2S)-2-methylc…

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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) 2.29 9.04 -41.26 1 4 1 39 290.431 4 ↓
Mid Mid (pH 6-8) 2.29 6.69 -5.86 0 4 0 38 289.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-7-[2-[(1S,2S)-2-methylcyclohexoxy]ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 2-methyl-7-[2-[(1S,2S)-2-methylc…

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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) 2.29 8.89 -40.73 1 4 1 39 290.431 4 ↓
Mid Mid (pH 6-8) 2.29 6.56 -6.49 0 4 0 38 289.423 4 ↓

Parameters Provided:

ring.id = 341671
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 = 341671 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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