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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: (5R)-5-(4-chlorophenyl)-N8,N8-diethyl-4-imino-5H-chromeno[2,3-d]pyrimidine-3,8-diamine (5R)-5-(4-chlorophenyl)-N8,N8-di…

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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) 0.41 9.95 -54.55 5 6 0 82 397.91 4 ↓
Mid Mid (pH 6-8) 0.41 9.84 -36.06 4 6 1 81 396.902 4 ↓

Analogs

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Popular Name: (5S)-5-(4-chlorophenyl)-N8,N8-diethyl-4-imino-5H-chromeno[2,3-d]pyrimidine-3,8-diamine (5S)-5-(4-chlorophenyl)-N8,N8-di…

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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) 0.41 9.95 -54.55 5 6 0 82 397.91 4 ↓
Mid Mid (pH 6-8) 0.41 9.85 -36.05 4 6 1 81 396.902 4 ↓

Analogs

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Popular Name: (5R)-5-(4-bromophenyl)-N8,N8-diethyl-4-imino-5H-chromeno[2,3-d]pyrimidine-3,8-diamine (5R)-5-(4-bromophenyl)-N8,N8-die…

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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) 0.54 10.05 -54.38 5 6 0 82 442.361 4 ↓
Mid Mid (pH 6-8) 0.54 9.95 -36.05 4 6 1 81 441.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(4-bromophenyl)-N8,N8-diethyl-4-imino-5H-chromeno[2,3-d]pyrimidine-3,8-diamine (5S)-5-(4-bromophenyl)-N8,N8-die…

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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) 0.54 10.06 -54.42 5 6 0 82 442.361 4 ↓
Mid Mid (pH 6-8) 0.54 9.95 -36.04 4 6 1 81 441.353 4 ↓

Analogs

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Popular Name: (5R)-5-(4-chlorophenyl)-N,N-diethyl-4-imino-3-methyl-5H-chromeno[2,3-d]pyrimidin-8-amine (5R)-5-(4-chlorophenyl)-N,N-diet…

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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) 1.03 11.68 -55.56 3 5 0 56 396.922 4 ↓
Hi High (pH 8-9.5) 3.31 11.65 -11.72 1 5 0 54 394.906 4 ↓
Mid Mid (pH 6-8) 1.03 11.58 -37.51 2 5 1 55 395.914 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(4-chlorophenyl)-N,N-diethyl-4-imino-3-methyl-5H-chromeno[2,3-d]pyrimidin-8-amine (5S)-5-(4-chlorophenyl)-N,N-diet…

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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) 1.03 11.68 -55.48 3 5 0 56 396.922 4 ↓
Hi High (pH 8-9.5) 3.31 11.65 -11.7 1 5 0 54 394.906 4 ↓
Mid Mid (pH 6-8) 1.03 11.58 -37.46 2 5 1 55 395.914 4 ↓

Parameters Provided:

ring.id = 469226
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 = 469226 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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