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

Analogs

36156817
36156817

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

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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) 2.18 6.28 -52.5 3 7 1 83 435.614 8 ↓
Hi High (pH 8-9.5) 2.64 3.29 -48.46 2 7 0 86 434.606 8 ↓
Hi High (pH 8-9.5) 2.18 5.23 -14.21 2 7 0 82 434.606 8 ↓

Analogs

36156815
36156815

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

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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) 2.18 5.93 -52.78 3 7 1 83 435.614 8 ↓
Hi High (pH 8-9.5) 2.64 2.87 -47.77 2 7 0 86 434.606 8 ↓
Hi High (pH 8-9.5) 2.18 4.52 -14.28 2 7 0 82 434.606 8 ↓

Analogs

36157118
36157118

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Popular Name: 2-[[[(2S)-2-hydroxy-3-morpholino-propyl]-(3-methoxypropyl)amino]methyl]-5,6,7,8-tetrahydro-3H-benzot 2-[[[(2S)-2-hydroxy-3-morpholino…

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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) 1.31 4.55 -56.8 3 8 1 92 451.613 10 ↓
Hi High (pH 8-9.5) 1.31 2.3 -15.16 2 8 0 91 450.605 10 ↓
Hi High (pH 8-9.5) 1.77 1.9 -49.29 2 8 0 95 450.605 10 ↓

Analogs

36157114
36157114

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(2R)-2-hydroxy-3-morpholino-propyl]-(3-methoxypropyl)amino]methyl]-5,6,7,8-tetrahydro-3H-benzot 2-[[[(2R)-2-hydroxy-3-morpholino…

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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) 1.31 4.32 -56.43 3 8 1 92 451.613 10 ↓
Hi High (pH 8-9.5) 1.31 2.02 -15.18 2 8 0 91 450.605 10 ↓
Hi High (pH 8-9.5) 1.77 1.78 -46.77 2 8 0 95 450.605 10 ↓

Analogs

36159496
36159496

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[allyl-[(2S)-2-hydroxy-3-morpholino-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3 2-[[allyl-[(2S)-2-hydroxy-3-morp…

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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) 1.70 5.36 -52.64 3 7 1 83 419.571 8 ↓
Hi High (pH 8-9.5) 2.16 2.62 -48.57 2 7 0 86 418.563 8 ↓
Lo Low (pH 4.5-6) 1.70 7.67 -120.26 4 7 2 84 420.579 8 ↓

Analogs

36159490
36159490

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[allyl-[(2R)-2-hydroxy-3-morpholino-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3 2-[[allyl-[(2R)-2-hydroxy-3-morp…

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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) 1.70 5.06 -53.08 3 7 1 83 419.571 8 ↓
Hi High (pH 8-9.5) 2.16 2.5 -44.02 2 7 0 86 418.563 8 ↓
Lo Low (pH 4.5-6) 1.70 7.38 -121.51 4 7 2 84 420.579 8 ↓

Parameters Provided:

ring.id = 76136
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 = 76136 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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