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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[2-[(4-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic (2R,3R)-3-[2-[(4-fluorophenyl)me…

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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) 4.05 1.83 -54.82 0 5 -1 68 379.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-3-[2-[(4-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic (2S,3R)-3-[2-[(4-fluorophenyl)me…

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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) 4.05 2.37 -53.01 0 5 -1 68 379.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-3-[2-[(4-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic (2R,3S)-3-[2-[(4-fluorophenyl)me…

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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) 4.05 2.39 -52.88 0 5 -1 68 379.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-3-[2-[(4-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic (2S,3S)-3-[2-[(4-fluorophenyl)me…

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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) 4.05 1.83 -54.88 0 5 -1 68 379.363 5 ↓

Analogs

11831208
11831208
11831211
11831211
11831212
11831212
11828879
11828879
11828886
11828886

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-3-(2-benzyloxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic (2S,3S)-3-(2-benzyloxy-3-methoxy…

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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) 3.70 1.46 -56.29 0 6 -1 77 391.399 6 ↓

Analogs

11831211
11831211
11831212
11831212
11828879
11828879
11828886
11828886
11828889
11828889

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-3-(2-benzyloxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic (2S,3R)-3-(2-benzyloxy-3-methoxy…

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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) 3.70 1.39 -59.76 0 6 -1 77 391.399 6 ↓

Analogs

11831212
11831212
11828879
11828879
11828886
11828886
11828889
11828889

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-3-(2-benzyloxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic (2R,3S)-3-(2-benzyloxy-3-methoxy…

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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) 3.70 1.43 -59.37 0 6 -1 77 391.399 6 ↓

Analogs

11828879
11828879
11828886
11828886
11828889
11828889

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-(2-benzyloxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic (2R,3R)-3-(2-benzyloxy-3-methoxy…

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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) 3.70 1.47 -56.45 0 6 -1 77 391.399 6 ↓

Analogs

11993132
11993132
11993133
11993133
11993134
11993134

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[2-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic (2R,3R)-3-[2-[(2-fluorophenyl)me…

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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) 4.00 1.93 -54.43 0 5 -1 68 379.363 5 ↓

Analogs

11993133
11993133
11993134
11993134
11993131
11993131

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-3-[2-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic (2S,3R)-3-[2-[(2-fluorophenyl)me…

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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) 4.00 2.45 -54.54 0 5 -1 68 379.363 5 ↓

Analogs

11993134
11993134
11993131
11993131
11993132
11993132

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-3-[2-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic (2R,3S)-3-[2-[(2-fluorophenyl)me…

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) 4.00 2.46 -54.54 0 5 -1 68 379.363 5 ↓

Analogs

11993131
11993131
11993132
11993132
11993133
11993133

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-3-[2-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic (2S,3S)-3-[2-[(2-fluorophenyl)me…

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) 4.00 1.93 -54.5 0 5 -1 68 379.363 5 ↓

Parameters Provided:

ring.id = 42376
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 = 42376 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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