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

Analogs

41198150
41198150

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-4,4-dimethyl-1-thiazol-2-yl-tetralin-1-amine (1R)-N-cyclopropyl-4,4-dimethyl-…

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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) 3.88 8.29 -27.88 2 2 1 29 299.463 3 ↓
Hi High (pH 8-9.5) 3.88 7.42 -5.01 1 2 0 25 298.455 3 ↓

Analogs

41198148
41198148

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-4,4-dimethyl-1-thiazol-2-yl-tetralin-1-amine (1S)-N-cyclopropyl-4,4-dimethyl-…

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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) 3.88 9.02 -28.62 2 2 1 29 299.463 3 ↓
Hi High (pH 8-9.5) 3.88 7.59 -4.59 1 2 0 25 298.455 3 ↓

Analogs

41198187
41198187
41195764
41195764
41195766
41195766

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-6-methoxy-1-thiazol-2-yl-tetralin-1-amine (1R)-N-cyclopropyl-6-methoxy-1-t…

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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) 3.19 6.71 -30.15 2 3 1 39 301.435 4 ↓
Hi High (pH 8-9.5) 3.19 5.85 -6.32 1 3 0 34 300.427 4 ↓

Analogs

41195764
41195764
41195766
41195766
41198185
41198185

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-6-methoxy-1-thiazol-2-yl-tetralin-1-amine (1S)-N-cyclopropyl-6-methoxy-1-t…

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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) 3.19 7.46 -30.63 2 3 1 39 301.435 4 ↓
Hi High (pH 8-9.5) 3.19 6.05 -5.9 1 3 0 34 300.427 4 ↓

Analogs

41198437
41198437

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-1-thiazol-2-yl-tetralin-1-amine (1R)-N-cyclopropyl-1-thiazol-2-y…

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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 7.41 -28.03 2 2 1 29 271.409 3 ↓
Hi High (pH 8-9.5) 3.15 6.56 -5.5 1 2 0 25 270.401 3 ↓

Analogs

41198435
41198435

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-1-thiazol-2-yl-tetralin-1-amine (1S)-N-cyclopropyl-1-thiazol-2-y…

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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 8.16 -28.59 2 2 1 29 271.409 3 ↓
Hi High (pH 8-9.5) 3.15 6.75 -4.94 1 2 0 25 270.401 3 ↓

Analogs

41198983
41198983

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-1-(4-methylthiazol-2-yl)tetralin-1-amine (1S)-N-cyclopropyl-1-(4-methylth…

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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) 3.38 8.3 -32.33 2 2 1 29 285.436 3 ↓
Hi High (pH 8-9.5) 3.38 7.76 -4.2 1 2 0 25 284.428 3 ↓

Analogs

41198980
41198980

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-1-(4-methylthiazol-2-yl)tetralin-1-amine (1R)-N-cyclopropyl-1-(4-methylth…

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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) 3.38 8.06 -33.58 2 2 1 29 285.436 3 ↓
Hi High (pH 8-9.5) 3.38 7.71 -5.87 1 2 0 25 284.428 3 ↓

Analogs

41199488
41199488
41196855
41196855
41196857
41196857

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-1-(4,5-dimethylthiazol-2-yl)tetralin-1-amine (1S)-N-cyclopropyl-1-(4,5-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) 3.60 9.48 -28.23 2 2 1 29 299.463 3 ↓
Hi High (pH 8-9.5) 3.60 8.1 -5.53 1 2 0 25 298.455 3 ↓

Analogs

41196855
41196855
41196857
41196857
41199485
41199485

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-1-(4,5-dimethylthiazol-2-yl)tetralin-1-amine (1R)-N-cyclopropyl-1-(4,5-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) 3.60 8.78 -27.72 2 2 1 29 299.463 3 ↓
Hi High (pH 8-9.5) 3.60 7.91 -6.19 1 2 0 25 298.455 3 ↓

Parameters Provided:

ring.id = 521469
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 = 521469 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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