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

Analogs

41192970
41192970
41189003
41189003
41189006
41189006

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Popular Name: N-[(S)-(7-bromo-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]propan-1-amine N-[(S)-(7-bromo-1,3-benzodioxol-…

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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) 3.44 6.06 -41.87 2 4 1 48 356.265 5 ↓
Mid Mid (pH 6-8) 3.44 4.95 -7.16 1 4 0 43 355.257 5 ↓

Analogs

41189003
41189003
41189006
41189006
41192967
41192967

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Popular Name: N-[(R)-(7-bromo-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]propan-1-amine N-[(R)-(7-bromo-1,3-benzodioxol-…

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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) 3.44 6.05 -42.29 2 4 1 48 356.265 5 ↓
Mid Mid (pH 6-8) 3.44 5.07 -6.57 1 4 0 43 355.257 5 ↓

Analogs

41192975
41192975
41189009
41189009
41189012
41189012

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(7-chloro-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]propan-1-amine N-[(S)-(7-chloro-1,3-benzodioxol…

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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) 3.31 5.95 -42.14 2 4 1 48 311.814 5 ↓
Mid Mid (pH 6-8) 3.31 4.86 -7.29 1 4 0 43 310.806 5 ↓

Analogs

41189009
41189009
41189012
41189012
41192973
41192973

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(7-chloro-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]propan-1-amine N-[(R)-(7-chloro-1,3-benzodioxol…

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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) 3.31 5.95 -42.51 2 4 1 48 311.814 5 ↓
Mid Mid (pH 6-8) 3.31 4.96 -6.67 1 4 0 43 310.806 5 ↓

Analogs

41193533
41193533
41196518
41196518
41196520
41196520
41189542
41189542
41189545
41189545

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(7-bromo-1,3-benzodioxol-5-yl)-(4-methylthiazol-2-yl)methyl]propan-1-amine N-[(S)-(7-bromo-1,3-benzodioxol-…

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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) 3.66 6.65 -42.61 2 4 1 48 370.292 5 ↓
Mid Mid (pH 6-8) 3.66 5.59 -6.49 1 4 0 43 369.284 5 ↓

Analogs

41196518
41196518
41196520
41196520
41189542
41189542
41189545
41189545
41193530
41193530

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(7-bromo-1,3-benzodioxol-5-yl)-(4-methylthiazol-2-yl)methyl]propan-1-amine N-[(R)-(7-bromo-1,3-benzodioxol-…

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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) 3.66 6.65 -43.01 2 4 1 48 370.292 5 ↓
Mid Mid (pH 6-8) 3.66 5.59 -6.67 1 4 0 43 369.284 5 ↓

Analogs

41193539
41193539
41189547
41189547
41189550
41189550

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(7-chloro-1,3-benzodioxol-5-yl)-(4-methylthiazol-2-yl)methyl]propan-1-amine N-[(S)-(7-chloro-1,3-benzodioxol…

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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) 3.53 6.55 -42.97 2 4 1 48 325.841 5 ↓
Mid Mid (pH 6-8) 3.53 5.49 -6.6 1 4 0 43 324.833 5 ↓

Analogs

41189547
41189547
41193536
41193536
41189550
41189550

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(7-chloro-1,3-benzodioxol-5-yl)-(4-methylthiazol-2-yl)methyl]propan-1-amine N-[(R)-(7-chloro-1,3-benzodioxol…

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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) 3.53 6.55 -43.39 2 4 1 48 325.841 5 ↓
Mid Mid (pH 6-8) 3.53 5.49 -6.74 1 4 0 43 324.833 5 ↓

Analogs

41196137
41196137

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Popular Name: N-[(S)-(7-bromo-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]propan-2-amine N-[(S)-(7-bromo-1,3-benzodioxol-…

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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) 3.24 5.82 -38.35 2 4 1 48 356.265 4 ↓
Mid Mid (pH 6-8) 3.24 4.86 -7.03 1 4 0 43 355.257 4 ↓

Analogs

41196135
41196135

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(7-bromo-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]propan-2-amine N-[(R)-(7-bromo-1,3-benzodioxol-…

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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) 3.24 5.84 -38.71 2 4 1 48 356.265 4 ↓
Mid Mid (pH 6-8) 3.24 4.77 -6.34 1 4 0 43 355.257 4 ↓

Analogs

41196141
41196141

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(7-chloro-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]propan-2-amine N-[(S)-(7-chloro-1,3-benzodioxol…

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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) 3.11 5.71 -38.55 2 4 1 48 311.814 4 ↓
Mid Mid (pH 6-8) 3.11 4.77 -7.07 1 4 0 43 310.806 4 ↓

Analogs

41196139
41196139

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(7-chloro-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]propan-2-amine N-[(R)-(7-chloro-1,3-benzodioxol…

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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) 3.11 5.73 -38.95 2 4 1 48 311.814 4 ↓
Mid Mid (pH 6-8) 3.11 4.67 -6.46 1 4 0 43 310.806 4 ↓

Analogs

41196520
41196520
41198968
41198968
41198971
41198971
41189542
41189542
41189545
41189545

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(7-bromo-1,3-benzodioxol-5-yl)-(4-methylthiazol-2-yl)methyl]propan-2-amine N-[(R)-(7-bromo-1,3-benzodioxol-…

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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) 3.46 6.42 -39.86 2 4 1 48 370.292 4 ↓
Mid Mid (pH 6-8) 3.46 5.35 -6.94 1 4 0 43 369.284 4 ↓

Analogs

41198968
41198968
41198971
41198971
41189542
41189542
41189545
41189545
41193533
41193533

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(7-bromo-1,3-benzodioxol-5-yl)-(4-methylthiazol-2-yl)methyl]propan-2-amine N-[(S)-(7-bromo-1,3-benzodioxol-…

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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) 3.46 6.38 -39.13 2 4 1 48 370.292 4 ↓
Mid Mid (pH 6-8) 3.46 5.48 -6.66 1 4 0 43 369.284 4 ↓

Analogs

41196524
41196524
41198974
41198974
41198977
41198977

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(7-chloro-1,3-benzodioxol-5-yl)-(4-methylthiazol-2-yl)methyl]propan-2-amine N-[(R)-(7-chloro-1,3-benzodioxol…

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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) 3.33 6.31 -40.22 2 4 1 48 325.841 4 ↓
Mid Mid (pH 6-8) 3.33 5.24 -7.02 1 4 0 43 324.833 4 ↓

Analogs

41198974
41198974
41198977
41198977
41196522
41196522

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(7-chloro-1,3-benzodioxol-5-yl)-(4-methylthiazol-2-yl)methyl]propan-2-amine N-[(S)-(7-chloro-1,3-benzodioxol…

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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) 3.33 6.28 -39.47 2 4 1 48 325.841 4 ↓
Mid Mid (pH 6-8) 3.33 5.37 -6.74 1 4 0 43 324.833 4 ↓

Parameters Provided:

ring.id = 35259
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 = 35259 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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