UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25462426
25462426

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Popular Name: 2-(4-bromophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]acetamide 2-(4-bromophenyl)-N-[2-(3,4-dihy…

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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) 4.26 11.46 -48.59 2 3 1 34 402.356 5 ↓
Mid Mid (pH 6-8) 4.26 9.23 -10.04 1 3 0 32 401.348 5 ↓

Analogs

25536652
25536652
25536657
25536657
29909614
29909614
29909618
29909618

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Popular Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-(2-nitrophenyl)acetamide N-[2-(3,4-dihydro-1H-isoquinolin…

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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) 3.36 11.3 -48.26 2 6 1 79 368.457 6 ↓
Mid Mid (pH 6-8) 3.36 9.07 -15.07 1 6 0 78 367.449 6 ↓

Analogs

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Popular Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-(3-methoxyphenyl)acetamide N-[2-(3,4-dihydro-1H-isoquinolin…

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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) 3.49 10.15 -48.42 2 4 1 43 353.486 6 ↓
Mid Mid (pH 6-8) 3.49 7.92 -11.62 1 4 0 42 352.478 6 ↓

Analogs

25462426
25462426
32369127
32369127

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Popular Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-(o-tolyl)acetamide N-[2-(3,4-dihydro-1H-isoquinolin…

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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) 3.85 11.38 -46.97 2 3 1 34 337.487 5 ↓
Mid Mid (pH 6-8) 3.85 9.15 -9.87 1 3 0 32 336.479 5 ↓

Analogs

25461795
25461795
25461460
25461460
25460718
25460718
25459742
25459742

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Popular Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-(p-tolyl)acetamide N-[2-(3,4-dihydro-1H-isoquinolin…

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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) 3.90 11.5 -46.6 2 3 1 34 337.487 5 ↓
Mid Mid (pH 6-8) 3.90 9.27 -10.01 1 3 0 32 336.479 5 ↓

Analogs

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Popular Name: (2R)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methoxy-2-phenyl-acetamide (2R)-N-[(2R)-2-(3,4-dihydro-1H-i…

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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) 2.74 10.41 -46.11 2 4 1 43 339.459 6 ↓
Mid Mid (pH 6-8) 2.74 8.6 -10.08 1 4 0 42 338.451 6 ↓

Parameters Provided:

ring.id = 147229
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 = 147229 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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