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

Analogs

41198425
41198425

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Popular Name: N-[(R)-(7-bromo-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]cyclopropanamine 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) 2.93 6.01 -39.17 2 4 1 48 354.249 4 ↓
Mid Mid (pH 6-8) 2.93 4.9 -7.5 1 4 0 43 353.241 4 ↓

Analogs

41198423
41198423

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Popular Name: N-[(S)-(7-bromo-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]cyclopropanamine 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) 2.93 6.01 -38.77 2 4 1 48 354.249 4 ↓
Mid Mid (pH 6-8) 2.93 4.94 -7.25 1 4 0 43 353.241 4 ↓

Analogs

41198429
41198429

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Popular Name: N-[(R)-(7-chloro-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]cyclopropanamine 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) 2.80 5.91 -39.4 2 4 1 48 309.798 4 ↓
Mid Mid (pH 6-8) 2.80 4.8 -7.58 1 4 0 43 308.79 4 ↓

Analogs

41198427
41198427

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Popular Name: N-[(S)-(7-chloro-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]cyclopropanamine 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) 2.80 5.91 -39.01 2 4 1 48 309.798 4 ↓
Mid Mid (pH 6-8) 2.80 4.83 -7.41 1 4 0 43 308.79 4 ↓

Analogs

41198971
41198971
41196518
41196518
41196520
41196520

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Popular Name: N-[(R)-(7-bromo-1,3-benzodioxol-5-yl)-(4-methylthiazol-2-yl)methyl]cyclopropanamine 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) 3.15 6.63 -40.92 2 4 1 48 368.276 4 ↓
Mid Mid (pH 6-8) 3.15 5.58 -6.73 1 4 0 43 367.268 4 ↓

Analogs

41196518
41196518
41196520
41196520
41198968
41198968

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Popular Name: N-[(S)-(7-bromo-1,3-benzodioxol-5-yl)-(4-methylthiazol-2-yl)methyl]cyclopropanamine 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) 3.15 6.57 -40.13 2 4 1 48 368.276 4 ↓
Mid Mid (pH 6-8) 3.15 5.59 -6.57 1 4 0 43 367.268 4 ↓

Analogs

41198977
41198977
41196522
41196522
41196524
41196524

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Popular Name: N-[(R)-(7-chloro-1,3-benzodioxol-5-yl)-(4-methylthiazol-2-yl)methyl]cyclopropanamine 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) 3.02 6.53 -41.22 2 4 1 48 323.825 4 ↓
Mid Mid (pH 6-8) 3.02 5.47 -6.84 1 4 0 43 322.817 4 ↓

Analogs

41196522
41196522
41196524
41196524
41198974
41198974

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(7-chloro-1,3-benzodioxol-5-yl)-(4-methylthiazol-2-yl)methyl]cyclopropanamine 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) 3.02 6.46 -40.42 2 4 1 48 323.825 4 ↓
Mid Mid (pH 6-8) 3.02 5.49 -6.62 1 4 0 43 322.817 4 ↓

Parameters Provided:

ring.id = 521532
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 = 521532 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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