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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (cyclopropylmethyl)(1,3-thiazol-5-ylmethyl)amine (cyclopropylmethyl)(1,3-thiazol-…

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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) 1.54 4.11 -41.82 2 2 1 29 169.273 4 ↓
Hi High (pH 8-9.5) 1.54 2.75 -3.73 1 2 0 25 168.265 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-(thiazol-5-ylmethyl)ethanamine (1S)-1-cyclopropyl-N-(thiazol-5-…

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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) 1.87 4.43 -39.54 2 2 1 29 183.3 4 ↓
Hi High (pH 8-9.5) 1.87 3.23 -3.75 1 2 0 25 182.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-(thiazol-5-ylmethyl)ethanamine (1R)-1-cyclopropyl-N-(thiazol-5-…

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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) 1.87 4.52 -39.22 2 2 1 29 183.3 4 ↓
Hi High (pH 8-9.5) 1.87 3.35 -3.81 1 2 0 25 182.292 4 ↓

Analogs

44516483
44516483
44517758
44517758
52273872
52273872
52273873
52273873
52273875
52273875

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Popular Name: 5-[(cyclopropylmethylamino)methyl]-N,N-diethyl-thiazol-2-amine 5-[(cyclopropylmethylamino)methy…

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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) 2.51 7.75 -39.77 2 3 1 33 240.396 7 ↓
Hi High (pH 8-9.5) 2.51 6.38 -4.85 1 3 0 28 239.388 7 ↓

Analogs

44516858
44516858
44517851
44517851
44517852
44517852

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclopropylmethyl)-1-(4-methylthiazol-5-yl)ethanamine (1R)-N-(cyclopropylmethyl)-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) 2.32 5.1 -39.92 2 2 1 29 197.327 4 ↓
Hi High (pH 8-9.5) 2.32 3.92 -4.3 1 2 0 25 196.319 4 ↓

Analogs

44516858
44516858
44517851
44517851
44517852
44517852

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclopropylmethyl)-1-(4-methylthiazol-5-yl)ethanamine (1S)-N-(cyclopropylmethyl)-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) 2.32 5.11 -39.68 2 2 1 29 197.327 4 ↓
Hi High (pH 8-9.5) 2.32 3.91 -3.64 1 2 0 25 196.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)-N-(cyclopropylmethyl)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) 3.76 7.69 -39.18 2 2 1 29 253.435 5 ↓
Hi High (pH 8-9.5) 3.76 6.51 -4.37 1 2 0 25 252.427 5 ↓

Analogs

45664165
45664165
45664166
45664166

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)-N-(cyclopropylmethyl)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) 3.76 7.7 -39 2 2 1 29 253.435 5 ↓
Hi High (pH 8-9.5) 3.76 6.51 -3.58 1 2 0 25 252.427 5 ↓

Parameters Provided:

ring.id = 153532
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 = 153532 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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