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

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-(2,5-difluorophenyl)-3-ethylamino-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)prop- (E)-1-(2,5-difluorophenyl)-3-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) -0.52 11.5 -31.31 1 3 1 33 375.464 5 ↓
Mid Mid (pH 6-8) -0.52 11.96 -37.31 1 3 0 33 374.456 5 ↓

Analogs

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Popular Name: (Z)-3-(allylamino)-1-(3,4-difluorophenyl)-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)pro (Z)-3-(allylamino)-1-(3,4-difluo…

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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) -0.25 12.02 -30.25 1 3 1 33 387.475 6 ↓
Hi High (pH 8-9.5) -0.25 12.5 -19.15 1 3 0 33 386.467 6 ↓

Analogs

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Popular Name: (Z)-3-(allylamino)-1-(2,5-difluorophenyl)-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)pro (Z)-3-(allylamino)-1-(2,5-difluo…

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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) -0.25 12.04 -25.6 1 3 1 33 387.475 6 ↓
Hi High (pH 8-9.5) -0.25 12.51 -20.07 1 3 0 33 386.467 6 ↓

Analogs

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Popular Name: (Z)-3-(allylamino)-1-(2,5-dimethylphenyl)-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)pro (Z)-3-(allylamino)-1-(2,5-dimeth…

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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) 0.32 12.87 -24.68 1 3 1 33 379.549 6 ↓
Hi High (pH 8-9.5) 0.32 13.34 -17.87 1 3 0 33 378.541 6 ↓

Analogs

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Popular Name: (E)-1-(2,4-dichlorophenyl)-3-methylamino-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)prop (E)-1-(2,4-dichlorophenyl)-3-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) 0.13 11.63 -32.55 1 3 1 33 394.347 4 ↓
Hi High (pH 8-9.5) 0.13 12.09 -33.79 1 3 0 33 393.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-(3,4-dichlorophenyl)-3-methylamino-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)prop (E)-1-(3,4-dichlorophenyl)-3-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) 0.13 11.55 -33.43 1 3 1 33 394.347 4 ↓
Hi High (pH 8-9.5) 0.13 12.02 -34.13 1 3 0 33 393.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-(3,4-difluorophenyl)-3-methylamino-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)prop (E)-1-(3,4-difluorophenyl)-3-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) -0.90 10.7 -35.38 1 3 1 33 361.437 4 ↓
Hi High (pH 8-9.5) -0.90 11.17 -35.3 1 3 0 33 360.429 4 ↓

Analogs

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Popular Name: (E)-3-methylamino-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-(2,4,5-trimethylphenyl)p (E)-3-methylamino-3-sulfanyl-2-(…

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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) 0.05 12.29 -28.05 1 3 1 33 367.538 4 ↓
Hi High (pH 8-9.5) 0.05 12.76 -33.98 1 3 0 33 366.53 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-(2,5-difluorophenyl)-3-methylamino-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)prop (E)-1-(2,5-difluorophenyl)-3-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) -0.90 10.75 -30.98 1 3 1 33 361.437 4 ↓
Hi High (pH 8-9.5) -0.90 11.21 -35.22 1 3 0 33 360.429 4 ↓

Analogs

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Popular Name: (Z)-1-(4-ethoxyphenyl)-3-methylamino-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)prop-2-e (Z)-1-(4-ethoxyphenyl)-3-methyla…

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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) -0.72 10.75 -27.51 1 4 1 42 369.51 6 ↓
Hi High (pH 8-9.5) -0.72 11.22 -20.51 1 4 0 42 368.502 6 ↓

Analogs

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Popular Name: (E)-1-(4-isopropylphenyl)-3-methylamino-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)prop- (E)-1-(4-isopropylphenyl)-3-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) 0.36 12.53 -28.11 1 3 1 33 367.538 5 ↓
Hi High (pH 8-9.5) 0.36 13.01 -34.9 1 3 0 33 366.53 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-1-(4-ethylphenyl)-3-methylamino-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)prop-2-en (Z)-1-(4-ethylphenyl)-3-methylam…

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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) -0.24 11.99 -25.39 1 3 1 33 353.511 5 ↓
Hi High (pH 8-9.5) -0.24 12.45 -19.67 1 3 0 33 352.503 5 ↓

Parameters Provided:

ring.id = 103366
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 = 103366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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