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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: (2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol (2R)-1-(6,8-dihydro-5H-pyrido[3,…

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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) 1.13 6.47 -48.45 2 5 1 60 318.372 6 ↓
Mid Mid (pH 6-8) 1.13 4.14 -10.54 1 5 0 58 317.364 6 ↓

Analogs

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Popular Name: (2S)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol (2S)-1-(6,8-dihydro-5H-pyrido[3,…

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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) 1.13 6.56 -46.65 2 5 1 60 318.372 6 ↓
Mid Mid (pH 6-8) 1.13 4.23 -9.24 1 5 0 58 317.364 6 ↓

Analogs

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Popular Name: (2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-[(2-methoxyphenyl)methoxy]propan-2-ol (2R)-1-(6,8-dihydro-5H-pyrido[3,…

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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) 1.02 5.76 -48.46 2 6 1 69 330.408 7 ↓
Mid Mid (pH 6-8) 1.02 3.43 -11.61 1 6 0 68 329.4 7 ↓

Analogs

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Popular Name: (2S)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-[(2-methoxyphenyl)methoxy]propan-2-ol (2S)-1-(6,8-dihydro-5H-pyrido[3,…

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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) 1.02 5.84 -46.37 2 6 1 69 330.408 7 ↓
Mid Mid (pH 6-8) 1.02 3.52 -10.05 1 6 0 68 329.4 7 ↓

Analogs

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Popular Name: (2R)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-[(4-methoxyphenyl)methoxy]propan-2-ol (2R)-1-(6,8-dihydro-5H-pyrido[3,…

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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) 1.07 5.55 -50.67 2 6 1 69 330.408 7 ↓
Mid Mid (pH 6-8) 1.07 3.23 -12.84 1 6 0 68 329.4 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-[(4-methoxyphenyl)methoxy]propan-2-ol (2S)-1-(6,8-dihydro-5H-pyrido[3,…

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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) 1.07 5.64 -48.29 2 6 1 69 330.408 7 ↓
Mid Mid (pH 6-8) 1.07 3.32 -11.15 1 6 0 68 329.4 7 ↓

Analogs

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Popular Name: (2S)-1-benzyloxy-3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol (2S)-1-benzyloxy-3-(2-ethyl-6,8-…

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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) 1.67 6.9 -46.49 2 5 1 60 328.436 7 ↓
Hi High (pH 8-9.5) 1.67 4.59 -9.96 1 5 0 58 327.428 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-benzyloxy-3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol (2R)-1-benzyloxy-3-(2-ethyl-6,8-…

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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) 1.67 6.82 -48.93 2 5 1 60 328.436 7 ↓
Hi High (pH 8-9.5) 1.67 4.5 -11.71 1 5 0 58 327.428 7 ↓

Parameters Provided:

ring.id = 412140
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 = 412140 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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