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

Analogs

41192959
41192959
41188987
41188987
41188990
41188990

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Popular Name: N-[(S)-2,3-dihydro-1,4-benzodioxin-6-yl(thiazol-2-yl)methyl]propan-1-amine N-[(S)-2,3-dihydro-1,4-benzodiox…

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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) 2.32 5.93 -38.44 2 4 1 48 291.396 5 ↓
Hi High (pH 8-9.5) 2.32 4.81 -7.35 1 4 0 43 290.388 5 ↓

Analogs

41188987
41188987
41188990
41188990
41192956
41192956

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(thiazol-2-yl)methyl]propan-1-amine N-[(R)-2,3-dihydro-1,4-benzodiox…

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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) 2.32 5.93 -38.49 2 4 1 48 291.396 5 ↓
Hi High (pH 8-9.5) 2.32 4.93 -6.69 1 4 0 43 290.388 5 ↓

Analogs

41192964
41192964
41188992
41188992
41188995
41188995

Draw Identity 99% 90% 80% 70%

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

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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) 3.13 6.47 -40.12 2 4 1 48 325.841 5 ↓
Mid Mid (pH 6-8) 3.13 5.37 -7.88 1 4 0 43 324.833 5 ↓

Analogs

41188992
41188992
41188995
41188995
41192961
41192961

Draw Identity 99% 90% 80% 70%

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

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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) 3.13 6.46 -40.11 2 4 1 48 325.841 5 ↓
Mid Mid (pH 6-8) 3.13 5.47 -7.22 1 4 0 43 324.833 5 ↓

Analogs

41192981
41192981
41189015
41189015
41189018
41189018

Draw Identity 99% 90% 80% 70%

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

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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) 3.26 6.59 -39.88 2 4 1 48 370.292 5 ↓
Mid Mid (pH 6-8) 3.26 5.48 -7.8 1 4 0 43 369.284 5 ↓

Analogs

41189015
41189015
41189018
41189018
41192978
41192978

Draw Identity 99% 90% 80% 70%

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

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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) 3.26 6.58 -39.87 2 4 1 48 370.292 5 ↓
Mid Mid (pH 6-8) 3.26 5.6 -7.09 1 4 0 43 369.284 5 ↓

Analogs

41193527
41193527
41189530
41189530
41189533
41189533

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiazol-2-yl)methyl]propan-1-amine N-[(S)-2,3-dihydro-1,4-benzodiox…

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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) 2.55 6.51 -40.82 2 4 1 48 305.423 5 ↓
Hi High (pH 8-9.5) 2.55 5.45 -7.86 1 4 0 43 304.415 5 ↓

Analogs

41189530
41189530
41189533
41189533
41193524
41193524

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiazol-2-yl)methyl]propan-1-amine N-[(R)-2,3-dihydro-1,4-benzodiox…

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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) 2.55 6.52 -40.75 2 4 1 48 305.423 5 ↓
Hi High (pH 8-9.5) 2.55 5.46 -7.97 1 4 0 43 304.415 5 ↓

Analogs

41196129
41196129

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2,3-dihydro-1,4-benzodioxin-6-yl(thiazol-2-yl)methyl]propan-2-amine N-[(S)-2,3-dihydro-1,4-benzodiox…

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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) 2.12 5.68 -35.33 2 4 1 48 291.396 4 ↓
Hi High (pH 8-9.5) 2.12 4.73 -7.2 1 4 0 43 290.388 4 ↓

Analogs

41196127
41196127

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(thiazol-2-yl)methyl]propan-2-amine N-[(R)-2,3-dihydro-1,4-benzodiox…

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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) 2.12 5.71 -35.37 2 4 1 48 291.396 4 ↓
Hi High (pH 8-9.5) 2.12 4.65 -6.49 1 4 0 43 290.388 4 ↓

Analogs

41196133
41196133

Draw Identity 99% 90% 80% 70%

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

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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) 2.92 6.23 -36.72 2 4 1 48 325.841 4 ↓
Mid Mid (pH 6-8) 2.92 5.28 -7.8 1 4 0 43 324.833 4 ↓

Analogs

41196131
41196131

Draw Identity 99% 90% 80% 70%

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

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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) 2.92 6.23 -36.73 2 4 1 48 325.841 4 ↓
Mid Mid (pH 6-8) 2.92 5.18 -6.98 1 4 0 43 324.833 4 ↓

Analogs

41196145
41196145

Draw Identity 99% 90% 80% 70%

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

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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) 3.05 6.35 -36.51 2 4 1 48 370.292 4 ↓
Mid Mid (pH 6-8) 3.05 5.39 -7.68 1 4 0 43 369.284 4 ↓

Analogs

41196143
41196143

Draw Identity 99% 90% 80% 70%

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

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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) 3.05 6.36 -36.52 2 4 1 48 370.292 4 ↓
Mid Mid (pH 6-8) 3.05 5.3 -6.82 1 4 0 43 369.284 4 ↓

Analogs

41196516
41196516

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiazol-2-yl)methyl]propan-2-amine N-[(R)-2,3-dihydro-1,4-benzodiox…

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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) 2.34 6.28 -38.12 2 4 1 48 305.423 4 ↓
Hi High (pH 8-9.5) 2.34 5.23 -8.26 1 4 0 43 304.415 4 ↓

Analogs

41196514
41196514

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiazol-2-yl)methyl]propan-2-amine N-[(S)-2,3-dihydro-1,4-benzodiox…

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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) 2.34 6.24 -37.83 2 4 1 48 305.423 4 ↓
Hi High (pH 8-9.5) 2.34 5.34 -8.08 1 4 0 43 304.415 4 ↓

Parameters Provided:

ring.id = 520591
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 = 520591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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