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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

1854204
1854204

Draw Identity 99% 90% 80% 70%

Popular Name: adol- adol-

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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) 2.80 0.52 -43.86 3 4 1 48 327.448 5 ↓

Analogs

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Popular Name: (3R)-2-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic (3R)-2-phenethyl-3,4-dihydro-1H-…

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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 11.76 -33.43 1 3 0 45 281.355 4 ↓
Hi High (pH 8-9.5) 1.31 9.55 -50.33 0 3 -1 43 280.347 4 ↓

Analogs

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Popular Name: (3S)-2-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-phenethyl-3,4-dihydro-1H-…

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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 11.77 -33.63 1 3 0 45 281.355 4 ↓
Hi High (pH 8-9.5) 1.31 9.6 -50.68 0 3 -1 43 280.347 4 ↓

Analogs

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Popular Name: (4R)-5,8-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol (4R)-5,8-dimethoxy-2-[2-(4-nitro…

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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) 2.52 6.21 -12.32 1 7 0 88 358.394 6 ↓
Mid Mid (pH 6-8) 2.52 8.46 -56.99 2 7 1 89 359.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5,8-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol (4S)-5,8-dimethoxy-2-[2-(4-nitro…

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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) 2.52 6.19 -12.33 1 7 0 88 358.394 6 ↓
Mid Mid (pH 6-8) 2.52 8.46 -56.95 2 7 1 89 359.402 6 ↓

Analogs

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Popular Name: (1S)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-ethanol (1S)-2-(7-ethoxy-3,4-dihydro-1H-…

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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) 2.96 8.37 -41.96 2 3 1 34 298.406 5 ↓
Mid Mid (pH 6-8) 2.96 6.04 -6.76 1 3 0 33 297.398 5 ↓

Analogs

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Popular Name: (1R)-1-(3,4-difluorophenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol (1R)-1-(3,4-difluorophenyl)-2-(7…

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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) 2.84 7.68 -50.99 2 3 1 34 320.359 4 ↓
Hi High (pH 8-9.5) 2.84 5.37 -9.05 1 3 0 33 319.351 4 ↓

Analogs

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Popular Name: (1S)-2-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (1S)-2-[2-(4-nitrophenyl)ethyl]-…

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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) 2.41 6.61 -13.52 2 6 0 92 325.368 5 ↓
Lo Low (pH 4.5-6) 2.41 8.7 -54.04 3 6 1 93 326.376 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (1R)-2-[2-(4-nitrophenyl)ethyl]-…

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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) 2.41 6.64 -13.58 2 6 0 92 325.368 5 ↓
Lo Low (pH 4.5-6) 2.41 8.72 -54.23 3 6 1 93 326.376 5 ↓

Parameters Provided:

ring.id = 545
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 = 545 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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