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

Analogs

4786559
4786559

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Popular Name: O3-cycloheptyl O3-cycloheptyl

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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) 6.23 14.8 -24.54 1 6 0 82 469.553 6 ↓

Analogs

19643578
19643578
19643581
19643581
19643584
19643584
19643587
19643587

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Popular Name: (4S)-4-(2-fluorophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic-acid-cyclohe (4S)-4-(2-fluorophenyl)-5-keto-2…

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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) 6.18 13.62 -20.76 1 4 0 55 425.544 4 ↓

Analogs

19643578
19643578
19643581
19643581
19643584
19643584
19643587
19643587

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-fluorophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic-acid-cyclohe (4R)-4-(2-fluorophenyl)-5-keto-2…

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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) 6.18 13.63 -20.71 1 4 0 55 425.544 4 ↓

Analogs

19805402
19805402
19805404
19805404
19805406
19805406
19805408
19805408
1202354
1202354

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Popular Name: (4S)-5-keto-2,7,7-trimethyl-4-(4-nitrophenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic-acid-cyclohep (4S)-5-keto-2,7,7-trimethyl-4-(4…

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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) 6.50 14.27 -17.09 1 7 0 101 452.551 5 ↓

Analogs

19805402
19805402
19805404
19805404
19805406
19805406
19805408
19805408
1202354
1202354

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-5-keto-2,7,7-trimethyl-4-(4-nitrophenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic-acid-cyclohep (4R)-5-keto-2,7,7-trimethyl-4-(4…

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) 6.50 14.29 -17.16 1 7 0 101 452.551 5 ↓

Parameters Provided:

ring.id = 73094
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 = 73094 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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