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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: 2,2-difluoro-N-(thiazol-5-ylmethyl)-1,3-benzodioxol-5-amine 2,2-difluoro-N-(thiazol-5-ylmeth…

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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) 2.88 3.46 -8.33 1 4 0 43 270.26 3 ↓

Analogs

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Popular Name: N-(thiazol-5-ylmethyl)-1,3-benzodioxol-5-amine N-(thiazol-5-ylmethyl)-1,3-benzo…

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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) 2.25 3.03 -8.35 1 4 0 43 234.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-(thiazol-5-ylmethyl)-1,3-benzodioxol-5-amine 2,2-dimethyl-N-(thiazol-5-ylmeth…

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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) 3.06 4.65 -8.51 1 4 0 43 262.334 3 ↓

Analogs

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Popular Name: 6-chloro-N-(thiazol-5-ylmethyl)-1,3-benzodioxol-5-amine 6-chloro-N-(thiazol-5-ylmethyl)-…

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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) 2.86 3.62 -6.95 1 4 0 43 268.725 3 ↓

Analogs

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Popular Name: 6-nitro-N-(thiazol-5-ylmethyl)-1,3-benzodioxol-5-amine 6-nitro-N-(thiazol-5-ylmethyl)-1…

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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) 2.14 3.99 -9.94 1 7 0 89 279.277 4 ↓

Analogs

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Popular Name: N-[(2-tert-butylthiazol-5-yl)methyl]-6-chloro-1,3-benzodioxol-5-amine N-[(2-tert-butylthiazol-5-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) 4.30 6.21 -6.6 1 4 0 43 324.833 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 4.67 -8.34 1 4 0 43 298.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 4.69 -8.37 1 4 0 43 298.314 3 ↓

Analogs

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Popular Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]-N,N-diethyl-thiazol-2-amine 5-[(1,3-benzodioxol-5-ylamino)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) 3.23 6.67 -8.89 1 5 0 47 305.403 6 ↓
Lo Low (pH 4.5-6) 3.23 7.12 -33.58 2 5 1 48 306.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-1,3-benzodioxol-5-amine N-[(1R)-1-(4-methylthiazol-5-yl)…

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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) 3.03 4.24 -8.39 1 4 0 43 262.334 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-1,3-benzodioxol-5-amine N-[(1S)-1-(4-methylthiazol-5-yl)…

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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) 3.03 4.25 -8.47 1 4 0 43 262.334 3 ↓

Analogs

37797281
37797281

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(1R)-1-(4-methylthia…

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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) 3.64 4.82 -6.96 1 4 0 43 296.779 3 ↓

Analogs

37797281
37797281

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-1,3-benzodioxol-5-amine 6-chloro-N-[(1S)-1-(4-methylthia…

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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) 3.64 4.84 -7.04 1 4 0 43 296.779 3 ↓

Analogs

37797284
37797284

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-6-nitro-1,3-benzodioxol-5-amine N-[(1R)-1-(4-methylthiazol-5-yl)…

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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 5.15 -9.77 1 7 0 89 307.331 4 ↓

Analogs

37797284
37797284

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-6-nitro-1,3-benzodioxol-5-amine N-[(1S)-1-(4-methylthiazol-5-yl)…

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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 5.23 -9.8 1 7 0 89 307.331 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 153552 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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