UCSF
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Analogs

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Popular Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone 1-(3,4-dihydro-2H-quinolin-1-yl)…

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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) 1.72 9.41 -54.86 1 5 1 51 323.42 2 ↓
Mid Mid (pH 6-8) 1.72 7.25 -16.52 0 5 0 49 322.412 2 ↓

Analogs

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Popular Name: 2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-y 2-(2-methyl-6,8-dihydro-5H-pyrid…

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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) 2.05 9.77 -53.16 1 5 1 51 337.447 2 ↓
Mid Mid (pH 6-8) 2.05 7.56 -16.63 0 5 0 49 336.439 2 ↓

Analogs

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Popular Name: 2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-y 2-(2-methyl-6,8-dihydro-5H-pyrid…

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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) 2.05 9.73 -53.37 1 5 1 51 337.447 2 ↓
Mid Mid (pH 6-8) 2.05 7.57 -16.97 0 5 0 49 336.439 2 ↓

Analogs

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Popular Name: 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone 2-(6,8-dihydro-5H-pyrido[3,4-d]p…

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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) 1.64 9.55 -54.5 1 5 1 51 309.393 2 ↓
Mid Mid (pH 6-8) 1.64 7.39 -16.19 0 5 0 49 308.385 2 ↓

Analogs

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Popular Name: (2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (2S)-2-(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) 1.97 9.69 -44.49 1 5 1 51 323.42 2 ↓
Mid Mid (pH 6-8) 1.97 7.38 -15.63 0 5 0 49 322.412 2 ↓

Analogs

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Popular Name: (2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (2R)-2-(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) 1.97 9.86 -48.9 1 5 1 51 323.42 2 ↓
Mid Mid (pH 6-8) 1.97 7.71 -15.74 0 5 0 49 322.412 2 ↓

Analogs

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

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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 10.02 -54.83 1 5 1 51 337.447 3 ↓
Mid Mid (pH 6-8) 2.29 7.86 -16.36 0 5 0 49 336.439 3 ↓

Parameters Provided:

ring.id = 341543
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 = 341543 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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