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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: (1S)-N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)ethanamine (1S)-N-(cyclobutylmethyl)-1-(1-m…

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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) 1.26 6.04 -37.13 2 3 1 34 194.302 4 ↓
Hi High (pH 8-9.5) 1.26 5.49 -27.1 2 3 1 31 194.302 4 ↓
Hi High (pH 8-9.5) 1.26 4.74 -6.46 1 3 0 30 193.294 4 ↓

Analogs

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Popular Name: (1R)-N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)ethanamine (1R)-N-(cyclobutylmethyl)-1-(1-m…

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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) 1.26 6.03 -37.08 2 3 1 34 194.302 4 ↓
Hi High (pH 8-9.5) 1.26 4.86 -6.6 1 3 0 30 193.294 4 ↓
Hi High (pH 8-9.5) 1.26 5.43 -26.2 2 3 1 31 194.302 4 ↓

Analogs

44518333
44518333
44518695
44518695
45630515
45630515
45630517
45630517

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Popular Name: 1-(5-chloro-1-methyl-imidazol-2-yl)-N-(cyclobutylmethyl)methanamine 1-(5-chloro-1-methyl-imidazol-2-…

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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) 1.50 6.07 -44.26 2 3 1 34 214.72 4 ↓
Hi High (pH 8-9.5) 1.50 4.71 -5.44 1 3 0 30 213.712 4 ↓

Analogs

44518332
44518332
44518694
44518694
45630511
45630511
45630513
45630513

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-1-[1-(difluoromethyl)imidazol-2-yl]methanamine N-(cyclobutylmethyl)-1-[1-(diflu…

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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) 1.26 5.79 -38.51 2 3 1 34 216.255 5 ↓
Hi High (pH 8-9.5) 1.26 4.4 -6.68 1 3 0 30 215.247 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)methanamine N-(cyclobutylmethyl)-1-(1-methyl…

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) 0.70 6.16 -106.57 3 3 2 36 181.283 4 ↓
Hi High (pH 8-9.5) 0.70 4.34 -7.27 1 3 0 30 179.267 4 ↓
Mid Mid (pH 6-8) 0.70 5.71 -41.9 2 3 1 34 180.275 4 ↓

Parameters Provided:

ring.id = 518779
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 = 518779 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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