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

Analogs

8559530
8559530
8559532
8559532

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-6,8-dihydro-4H-quinoline-3-ca 2-amino-4-(4-ethylphenyl)-7,7-di…

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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) 2.68 14.57 -17.17 3 7 0 112 388.475 3 ↓

Analogs

8559530
8559530
8559532
8559532

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-6,8-dihydro-4H-quinoline-3-ca 2-amino-4-(4-ethylphenyl)-7,7-di…

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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) 2.68 14.56 -17.04 3 7 0 112 388.475 3 ↓

Analogs

9993486
9993486
9993488
9993488

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Popular Name: 2-amino-4-(2,4-dichlorophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-4,6,7,8-tetrahydroquinoline-3-carboni 2-amino-4-(2,4-dichlorophenyl)-5…

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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) 1.92 12.88 -15.24 3 7 0 112 401.257 2 ↓
Lo Low (pH 4.5-6) 1.92 12.64 -48.81 4 7 1 113 402.265 2 ↓

Analogs

6794191
6794191
2381738
2381738

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-4,6,7,8-tetrahydroquinoline-3-carbon 2-amino-4-(2,3-dimethoxyphenyl)-…

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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) 0.46 8.69 -12.39 3 9 0 130 392.419 4 ↓
Lo Low (pH 4.5-6) 0.46 8.07 -43.09 4 9 1 132 393.427 4 ↓

Analogs

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Popular Name: 2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-6,8-dihydro-4H-quinoline-3- 2-amino-4-(3-methoxyphenyl)-7,7-…

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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) 1.79 12.42 -20.19 3 8 0 121 390.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-6,8-dihydro-4H-quinoline-3- 2-amino-4-(3-methoxyphenyl)-7,7-…

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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) 1.79 12.43 -20.08 3 8 0 121 390.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-6,8-dihydro-4H-quinolin 2-amino-4-(3,4-dimethoxyphenyl)-…

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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) 1.41 12.33 -20.67 3 9 0 130 420.473 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-6,8-dihydro-4H-quinolin 2-amino-4-(3,4-dimethoxyphenyl)-…

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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) 1.41 12.33 -20.46 3 9 0 130 420.473 4 ↓

Parameters Provided:

ring.id = 3509
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 = 3509 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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