UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propan-1-o 1-[(2R)-2-methyl-3,4-dihydro-2H-…

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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) 2.28 8.71 -46.19 2 3 1 37 287.427 3 ↓

Analogs

38337874
38337874
38337875
38337875
4170167
4170167

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Popular Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propan-1-o 1-[(2S)-2-methyl-3,4-dihydro-2H-…

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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) 2.28 8.75 -46.12 2 3 1 37 287.427 3 ↓

Analogs

38337874
38337874
38337875
38337875
44809230
44809230
44809231
44809231
44809232
44809232

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propan-1-o 1-[(2R)-2-methyl-3,4-dihydro-2H-…

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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) 2.28 8.71 -46.18 2 3 1 37 287.427 3 ↓

Analogs

38337874
38337874
38337875
38337875
44809230
44809230
44809231
44809231
44809232
44809232

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propan-1-o 1-[(2S)-2-methyl-3,4-dihydro-2H-…

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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) 2.28 8.75 -46.02 2 3 1 37 287.427 3 ↓

Analogs

48387853
48387853
48387855
48387855
9112551
9112551

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Popular Name: 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propan-1-one 1-(6-methyl-3,4-dihydro-2H-quino…

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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) 2.38 9.13 -45.75 2 3 1 37 287.427 3 ↓

Analogs

48387853
48387853
48387855
48387855
9112551
9112551

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propan-1-one 1-(6-methyl-3,4-dihydro-2H-quino…

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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) 2.38 9.14 -45.8 2 3 1 37 287.427 3 ↓

Analogs

4170167
4170167

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propan-1-one 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) 1.95 8.46 -45.69 2 3 1 37 273.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propan-1-one 1-(3,4-dihydro-2H-quinolin-1-yl)…

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) 1.95 8.47 -45.69 2 3 1 37 273.4 3 ↓

Parameters Provided:

ring.id = 112128
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 = 112128 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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