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

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Popular Name: (3R)-2-[(2-methylthiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3R)-2-[(2-methylthiazol-4-yl)me…

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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) -0.21 8.99 -23.67 1 4 0 57 288.372 3 ↓
Hi High (pH 8-9.5) -0.21 6.77 -49.76 0 4 -1 56 287.364 3 ↓

Analogs

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Popular Name: (3S)-2-[(2-methylthiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-[(2-methylthiazol-4-yl)me…

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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) -0.21 8.71 -33.69 1 4 0 57 288.372 3 ↓
Hi High (pH 8-9.5) -0.21 6.55 -56.66 0 4 -1 56 287.364 3 ↓

Analogs

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

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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) 0.08 8.26 -24.34 1 4 0 57 274.345 3 ↓
Hi High (pH 8-9.5) 0.08 6.06 -49.02 0 4 -1 56 273.337 3 ↓

Analogs

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

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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) 0.08 7.97 -33.76 1 4 0 57 274.345 3 ↓
Hi High (pH 8-9.5) 0.08 5.75 -55.46 0 4 -1 56 273.337 3 ↓

Analogs

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Popular Name: (3R)-2-[(2-ethylthiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3R)-2-[(2-ethylthiazol-4-yl)met…

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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) 0.37 9.75 -23.08 1 4 0 57 302.399 4 ↓
Hi High (pH 8-9.5) 0.37 7.52 -49.46 0 4 -1 56 301.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-2-[(2-ethylthiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-[(2-ethylthiazol-4-yl)met…

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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) 0.37 9.47 -33.56 1 4 0 57 302.399 4 ↓
Hi High (pH 8-9.5) 0.37 7.31 -56.95 0 4 -1 56 301.391 4 ↓

Analogs

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Popular Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)thiazol-2-yl]-N-methyl-methanamine 1-[4-(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) 1.59 5.4 -40.84 2 3 1 33 274.413 4 ↓
Hi High (pH 8-9.5) 1.59 3.96 -6.6 1 3 0 28 273.405 4 ↓
Lo Low (pH 4.5-6) 1.59 7.72 -94.57 3 3 2 34 275.421 4 ↓

Analogs

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Popular Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(3,4-dihydro-1H-isoquinoli…

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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) 1.97 6.26 -39.76 2 3 1 33 288.44 5 ↓
Hi High (pH 8-9.5) 1.97 4.89 -6.38 1 3 0 28 287.432 5 ↓
Lo Low (pH 4.5-6) 1.97 8.58 -94.18 3 3 2 34 289.448 5 ↓

Analogs

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Popular Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)thiazol-2-yl]methyl]propan-1-amine N-[[4-(3,4-dihydro-1H-isoquinoli…

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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) 2.47 7.01 -40.6 2 3 1 33 302.467 6 ↓
Hi High (pH 8-9.5) 2.47 5.65 -6.24 1 3 0 28 301.459 6 ↓
Lo Low (pH 4.5-6) 2.47 9.33 -95.76 3 3 2 34 303.475 6 ↓

Analogs

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Popular Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)thiazol-2-yl]methyl]propan-2-amine N-[[4-(3,4-dihydro-1H-isoquinoli…

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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) 2.27 6.8 -38.18 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 2.27 5.58 -6.19 1 3 0 28 301.459 5 ↓
Lo Low (pH 4.5-6) 2.27 9.11 -93.02 3 3 2 34 303.475 5 ↓

Analogs

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Popular Name: N-[4-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiazol-2-yl]acetamide N-[4-[(5-amino-3,4-dihydro-1H-is…

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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) 1.08 3.4 -11.39 3 5 0 71 302.403 3 ↓
Mid Mid (pH 6-8) 1.08 5.72 -42.04 4 5 1 72 303.411 3 ↓

Analogs

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Popular Name: 2-[(2-isopropylthiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine 2-[(2-isopropylthiazol-4-yl)meth…

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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) 2.51 5.48 -6.88 2 3 0 42 287.432 3 ↓
Mid Mid (pH 6-8) 2.51 7.8 -36.08 3 3 1 43 288.44 3 ↓

Analogs

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Popular Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiazol-2-amine 4-[(6,7-dimethoxy-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) 1.53 5.96 -42.6 3 5 1 62 306.411 4 ↓
Mid Mid (pH 6-8) 1.53 3.65 -10.36 2 5 0 61 305.403 4 ↓

Parameters Provided:

ring.id = 216959
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 = 216959 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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