UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4S,7S)-7-(2,5-dimethoxyphenyl)-3-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-isoxazolo[5,4-b]quinolin-5-o (4S,7S)-7-(2,5-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) 3.75 9.43 -13.29 1 6 0 74 416.477 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-7-(2,5-dimethoxyphenyl)-3-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-isoxazolo[5,4-b]quinolin-5-o (4S,7R)-7-(2,5-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) 3.75 9.43 -13.24 1 6 0 74 416.477 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-7-(2,5-dimethoxyphenyl)-3-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-isoxazolo[5,4-b]quinolin-5-o (4R,7S)-7-(2,5-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) 3.75 9.47 -13.22 1 6 0 74 416.477 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-7-(2,5-dimethoxyphenyl)-3-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-isoxazolo[5,4-b]quinolin-5-o (4R,7R)-7-(2,5-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) 3.75 9.48 -13.28 1 6 0 74 416.477 4 ↓

Analogs

21660374
21660374
21660376
21660376
21660378
21660378
21660380
21660380
21660418
21660418

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-7-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-isoxazolo[5,4-b]quino (4S,7R)-7-(4-hydroxyphenyl)-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) 3.76 7.19 -15 2 6 0 85 402.45 3 ↓

Analogs

21660374
21660374
21660376
21660376
21660378
21660378
21660380
21660380
21660418
21660418

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-7-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-isoxazolo[5,4-b]quino (4R,7R)-7-(4-hydroxyphenyl)-4-(4…

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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) 3.76 7.25 -15.07 2 6 0 85 402.45 3 ↓

Analogs

21660374
21660374
21660376
21660376
21660378
21660378
21660380
21660380
21660418
21660418

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-7-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-isoxazolo[5,4-b]quino (4S,7S)-7-(4-hydroxyphenyl)-4-(4…

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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) 3.76 7.2 -15.51 2 6 0 85 402.45 3 ↓

Analogs

21660374
21660374
21660376
21660376
21660378
21660378
21660380
21660380
21660418
21660418

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-7-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-isoxazolo[5,4-b]quino (4R,7S)-7-(4-hydroxyphenyl)-4-(4…

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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) 3.76 7.24 -15.34 2 6 0 85 402.45 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-4-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-isoxazolo[ (4S,7R)-4-(4-hydroxy-3-methoxy-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) 3.04 5.03 -17.09 3 7 0 105 418.449 3 ↓
Hi High (pH 8-9.5) 3.58 3.11 -40.32 2 7 -1 111 417.441 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-4-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-isoxazolo[ (4R,7R)-4-(4-hydroxy-3-methoxy-p…

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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) 3.04 5.08 -17.07 3 7 0 105 418.449 3 ↓
Hi High (pH 8-9.5) 3.58 3.26 -39.43 2 7 -1 111 417.441 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-4-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-isoxazolo[ (4S,7S)-4-(4-hydroxy-3-methoxy-p…

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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) 3.04 5.03 -17.56 3 7 0 105 418.449 3 ↓
Hi High (pH 8-9.5) 3.58 3.11 -40.48 2 7 -1 111 417.441 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-4-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-isoxazolo[ (4R,7S)-4-(4-hydroxy-3-methoxy-p…

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) 3.04 5.07 -17.46 3 7 0 105 418.449 3 ↓
Hi High (pH 8-9.5) 3.58 3.27 -39.53 2 7 -1 111 417.441 3 ↓

Parameters Provided:

ring.id = 225433
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 = 225433 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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