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

Analogs

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Popular Name: 1,1-dicyclopropyl-N-(thiazol-5-ylmethyl)methanamine 1,1-dicyclopropyl-N-(thiazol-5-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) 2.39 6.24 -37.65 2 2 1 29 209.338 5 ↓
Hi High (pH 8-9.5) 2.39 5.07 -3.37 1 2 0 25 208.33 5 ↓

Analogs

52273872
52273872
52273873
52273873
52273875
52273875
52273877
52273877

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Popular Name: 5-[(dicyclopropylmethylamino)methyl]-N,N-diethyl-thiazol-2-amine 5-[(dicyclopropylmethylamino)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) 3.37 9.88 -35.7 2 3 1 33 280.461 8 ↓
Hi High (pH 8-9.5) 3.37 8.64 -4.57 1 3 0 28 279.453 8 ↓

Analogs

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Popular Name: (1R)-N-(dicyclopropylmethyl)-1-(4-methylthiazol-5-yl)ethanamine (1R)-N-(dicyclopropylmethyl)-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) 3.17 7.18 -34.73 2 2 1 29 237.392 5 ↓
Hi High (pH 8-9.5) 3.17 6.19 -4.07 1 2 0 25 236.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(dicyclopropylmethyl)-1-(4-methylthiazol-5-yl)ethanamine (1S)-N-(dicyclopropylmethyl)-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) 3.17 6.87 -33.86 2 2 1 29 237.392 5 ↓
Hi High (pH 8-9.5) 3.17 6.14 -3.32 1 2 0 25 236.384 5 ↓

Analogs

52274789
52274789
52274791
52274791
52274793
52274793
52274795
52274795

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Popular Name: (1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)-N-(dicyclopropylmethyl)ethanamine (1R)-1-(2-tert-butyl-4-methyl-th…

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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) 4.61 9.79 -33.98 2 2 1 29 293.5 6 ↓
Hi High (pH 8-9.5) 4.61 8.78 -4.13 1 2 0 25 292.492 6 ↓

Analogs

52274789
52274789
52274791
52274791
52274793
52274793
52274795
52274795

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)-N-(dicyclopropylmethyl)ethanamine (1S)-1-(2-tert-butyl-4-methyl-th…

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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) 4.61 9.46 -33.19 2 2 1 29 293.5 6 ↓
Hi High (pH 8-9.5) 4.61 8.73 -3.23 1 2 0 25 292.492 6 ↓

Parameters Provided:

ring.id = 153597
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 = 153597 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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