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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-[4-(chloromethyl)thiazol-2-yl]-N-(cyclobutylmethyl)-N-methyl-methanamine 1-[4-(chloromethyl)thiazol-2-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) 2.26 7.57 -37.46 1 2 1 17 245.799 5 ↓
Mid Mid (pH 6-8) 2.26 5.21 -4.33 0 2 0 16 244.791 5 ↓

Analogs

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Popular Name: (1S)-1-[4-(chloromethyl)thiazol-2-yl]-N-(cyclobutylmethyl)-N-methyl-ethanamine (1S)-1-[4-(chloromethyl)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) 2.82 8 -35.92 1 2 1 17 259.826 5 ↓
Mid Mid (pH 6-8) 2.82 5.71 -4.33 0 2 0 16 258.818 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(chloromethyl)thiazol-2-yl]-N-(cyclobutylmethyl)-N-methyl-ethanamine (1R)-1-[4-(chloromethyl)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) 2.82 7.9 -35.27 1 2 1 17 259.826 5 ↓
Mid Mid (pH 6-8) 2.82 5.6 -4.5 0 2 0 16 258.818 5 ↓

Analogs

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Popular Name: (1S)-1-[4-(chloromethyl)thiazol-2-yl]-N-(cyclobutylmethyl)-N-methyl-propan-1-amine (1S)-1-[4-(chloromethyl)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) 3.32 8.63 -36.43 1 2 1 17 273.853 6 ↓
Mid Mid (pH 6-8) 3.32 6.62 -3.91 0 2 0 16 272.845 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(chloromethyl)thiazol-2-yl]-N-(cyclobutylmethyl)-N-methyl-propan-1-amine (1R)-1-[4-(chloromethyl)thiazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.32 8.6 -35.4 1 2 1 17 273.853 6 ↓
Mid Mid (pH 6-8) 3.32 6.33 -4.09 0 2 0 16 272.845 6 ↓

Parameters Provided:

ring.id = 219395
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 = 219395 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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