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

Analogs

36156560
36156560
36158620
36158620
36158624
36158624
35744598
35744598
35744599
35744599

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2R)-2-hydroxy-2-phenyl-ethyl]-(2-methoxyethyl)amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiophe 2-[[[(2R)-2-hydroxy-2-phenyl-eth…

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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) 2.63 6.54 -12.8 2 6 0 78 413.543 8 ↓
Lo Low (pH 4.5-6) 2.63 8.62 -52.26 3 6 1 80 414.551 8 ↓

Analogs

36158620
36158620
36158624
36158624
35744598
35744598
35744599
35744599
36156558
36156558

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2S)-2-hydroxy-2-phenyl-ethyl]-(2-methoxyethyl)amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiophe 2-[[[(2S)-2-hydroxy-2-phenyl-eth…

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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) 2.63 6.25 -12.96 2 6 0 78 413.543 8 ↓
Lo Low (pH 4.5-6) 2.63 8.25 -52.54 3 6 1 80 414.551 8 ↓

Analogs

36156751
36156751

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2R)-2-hydroxy-2-phenyl-ethyl]-(3-methoxypropyl)amino]methyl]-5,6,7,8-tetrahydro-3H-benzothioph 2-[[[(2R)-2-hydroxy-2-phenyl-eth…

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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) 2.90 6.85 -14.09 2 6 0 78 427.57 9 ↓
Lo Low (pH 4.5-6) 2.90 9.19 -54.59 3 6 1 80 428.578 9 ↓

Analogs

36156749
36156749

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2S)-2-hydroxy-2-phenyl-ethyl]-(3-methoxypropyl)amino]methyl]-5,6,7,8-tetrahydro-3H-benzothioph 2-[[[(2S)-2-hydroxy-2-phenyl-eth…

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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) 2.90 6.61 -13.87 2 6 0 78 427.57 9 ↓
Lo Low (pH 4.5-6) 2.90 8.92 -55.04 3 6 1 80 428.578 9 ↓

Analogs

36158624
36158624
35744331
35744331
35744333
35744333
35744598
35744598
35744599
35744599

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2R)-2-hydroxy-2-phenyl-ethyl]-propyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d] 2-[[[(2R)-2-hydroxy-2-phenyl-eth…

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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) 3.52 7.78 -12.51 2 5 0 69 397.544 7 ↓
Lo Low (pH 4.5-6) 3.52 10.13 -53.09 3 5 1 70 398.552 7 ↓

Analogs

35744331
35744331
35744333
35744333
35744598
35744598
35744599
35744599
36156558
36156558

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2S)-2-hydroxy-2-phenyl-ethyl]-propyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d] 2-[[[(2S)-2-hydroxy-2-phenyl-eth…

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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) 3.52 7.53 -12.98 2 5 0 69 397.544 7 ↓
Lo Low (pH 4.5-6) 3.52 9.85 -51.79 3 5 1 70 398.552 7 ↓

Analogs

36161398
36161398

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[[[(2R)-2-hydroxy-2-phenyl-ethyl]-(3-methoxypropyl)amino]methyl]-7-methyl-5,6,7,8-tetrahydro- (7R)-2-[[[(2R)-2-hydroxy-2-pheny…

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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) 3.37 7.43 -13.37 2 6 0 78 441.597 9 ↓
Lo Low (pH 4.5-6) 3.37 9.71 -53.91 3 6 1 80 442.605 9 ↓

Analogs

36161395
36161395

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[[[(2R)-2-hydroxy-2-phenyl-ethyl]-(3-methoxypropyl)amino]methyl]-7-methyl-5,6,7,8-tetrahydro- (7S)-2-[[[(2R)-2-hydroxy-2-pheny…

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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) 3.37 7.19 -13.02 2 6 0 78 441.597 9 ↓
Lo Low (pH 4.5-6) 3.37 9.35 -54.2 3 6 1 80 442.605 9 ↓

Parameters Provided:

ring.id = 76021
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 = 76021 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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