UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-(dimethylamino)propyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-car N-[3-(dimethylamino)propyl]-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) 0.85 2.72 -52.13 3 9 1 111 374.421 8 ↓

Analogs

4976698
4976698
4976699
4976699

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Popular Name: (3S,4S)-6-bromo-3-morpholino-4-phenyl-3,4-dihydro-1H-quinolin-2-one (3S,4S)-6-bromo-3-morpholino-4-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) 3.14 6.3 -7.62 1 4 0 42 387.277 2 ↓
Lo Low (pH 4.5-6) 3.14 8.28 -35.91 2 4 1 43 388.285 2 ↓

Analogs

4976698
4976698
4976699
4976699

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Popular Name: (3R,4S)-6-bromo-3-morpholino-4-phenyl-3,4-dihydro-1H-quinolin-2-one (3R,4S)-6-bromo-3-morpholino-4-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) 3.14 5.98 -7.98 1 4 0 42 387.277 2 ↓
Lo Low (pH 4.5-6) 3.14 8.14 -39.32 2 4 1 43 388.285 2 ↓

Analogs

4976698
4976698
4976699
4976699

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-6-bromo-3-morpholino-4-phenyl-3,4-dihydro-1H-quinolin-2-one (3S,4R)-6-bromo-3-morpholino-4-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) 3.14 5.97 -7.98 1 4 0 42 387.277 2 ↓
Lo Low (pH 4.5-6) 3.14 8.15 -39.27 2 4 1 43 388.285 2 ↓

Analogs

4976698
4976698
4976699
4976699

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-6-bromo-3-morpholino-4-phenyl-3,4-dihydro-1H-quinolin-2-one (3R,4R)-6-bromo-3-morpholino-4-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) 3.14 6.66 -6.54 1 4 0 42 387.277 2 ↓
Lo Low (pH 4.5-6) 3.14 7.48 -32.33 2 4 1 43 388.285 2 ↓

Analogs

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Popular Name: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]-4H-quinoline 6-ethoxy-1-methyl-2-[(E)-2-(3-ni…

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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) 1.17 12.32 -41.37 0 5 1 58 337.399 5 ↓

Analogs

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Popular Name: 3-[[(4S)-3,3-dimethyl-4-(methyl-phenyl-amino)-4H-quinolin-2-yl]amino]propan-1-ol 3-[[(4S)-3,3-dimethyl-4-(methyl-…

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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) 4.01 7.58 -7.07 2 4 0 48 337.467 6 ↓

Analogs

5826171
5826171

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Popular Name: 3-(3,4-dihydroquinolin-2-ylamino)propan-1-ol 3-(3,4-dihydroquinolin-2-ylamino…

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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) 1.87 3.28 -8.43 2 3 0 45 204.273 4 ↓

Analogs

38580918
38580918

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Popular Name: 6-methyl-3,4-dihydro-quinolin-4-ol 6-methyl-3,4-dihydro-quinolin-4-ol

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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) 1.57 2.36 -9.01 1 2 0 33 161.204 0 ↓
Lo Low (pH 4.5-6) 1.57 2.77 -35.86 2 2 1 34 162.212 0 ↓

Analogs

38580917
38580917

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Popular Name: 6-methyl-3,4-dihydro-quinolin-4-ol 6-methyl-3,4-dihydro-quinolin-4-ol

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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) 1.57 2.36 -9.02 1 2 0 33 161.204 0 ↓
Lo Low (pH 4.5-6) 1.57 2.77 -35.84 2 2 1 34 162.212 0 ↓

Parameters Provided:

ring.id = 12138
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 = 12138 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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