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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2,5-dimethylphenyl)-2-methyl-benzenesulfonamide 5-(3,4-dihydro-2H-quinoline-1-ca…

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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) 5.55 10.47 -19.8 1 5 0 66 434.561 4 ↓
Hi High (pH 8-9.5) 5.55 10.56 -53.26 0 5 -1 69 433.553 4 ↓

Analogs

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Popular Name: 2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(p-tolyl)benzenesulfonamide 2-chloro-5-(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) 5.40 9.93 -16.89 1 5 0 66 440.952 4 ↓
Hi High (pH 8-9.5) 5.40 10.01 -53.2 0 5 -1 69 439.944 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3,5-dimethylphenyl)-2-methyl-benzenesulfonamide 5-(3,4-dihydro-2H-quinoline-1-ca…

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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) 5.55 10.8 -20.18 1 5 0 66 434.561 4 ↓
Hi High (pH 8-9.5) 5.55 10.88 -55.64 0 5 -1 69 433.553 4 ↓

Analogs

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Popular Name: 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethyl-N-phenyl-benzenesulfonamide 3-(3,4-dihydro-2H-quinoline-1-ca…

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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) 4.95 10.54 -19.39 0 5 0 58 420.534 5 ↓

Analogs

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Popular Name: N-ethyl-3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N-phenyl-benzenesulfonamide N-ethyl-3-(6-methyl-3,4-dihydro-…

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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) 5.37 11.21 -19.55 0 5 0 58 434.561 5 ↓

Parameters Provided:

ring.id = 150081
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 = 150081 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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