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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: (1R)-N-(cyclobutylmethyl)-N-methyl-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine (1R)-N-(cyclobutylmethyl)-N-meth…

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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) 1.42 6.47 -44.57 3 4 1 49 285.415 6 ↓
Hi High (pH 8-9.5) 1.42 5.75 -5.1 2 4 0 47 284.407 6 ↓
Lo Low (pH 4.5-6) 1.42 8.04 -127.49 4 4 2 50 286.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclobutylmethyl)-N-methyl-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-N-meth…

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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) 1.42 6.71 -44.84 3 4 1 49 285.415 6 ↓
Hi High (pH 8-9.5) 1.42 5.87 -6.36 2 4 0 47 284.407 6 ↓
Lo Low (pH 4.5-6) 1.42 8.14 -127.37 4 4 2 50 286.423 6 ↓

Analogs

37985041
37985041

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-1-(1-phenylpyrazol-4-yl)methanamine N-(cyclobutylmethyl)-1-(1-phenyl…

Find On: PubMed — Wikipedia — Google

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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) 2.19 8.53 -45.67 2 3 1 34 242.346 5 ↓
Hi High (pH 8-9.5) 2.19 7.18 -6.3 1 3 0 30 241.338 5 ↓

Parameters Provided:

ring.id = 217274
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 = 217274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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