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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: (2S)-1-[1-(8-quinolylmethyl)imidazol-2-yl]propan-2-amine (2S)-1-[1-(8-quinolylmethyl)imid…

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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) 1.04 6.55 -43.12 3 4 1 58 267.356 4 ↓
Hi High (pH 8-9.5) 1.04 6.19 -9.2 2 4 0 57 266.348 4 ↓
Lo Low (pH 4.5-6) 1.04 7.14 -107.19 4 4 2 60 268.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[1-(8-quinolylmethyl)imidazol-2-yl]propan-2-amine (2R)-1-[1-(8-quinolylmethyl)imid…

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) 1.04 6.69 -50.12 3 4 1 58 267.356 4 ↓
Hi High (pH 8-9.5) 1.04 6.4 -10.92 2 4 0 57 266.348 4 ↓
Lo Low (pH 4.5-6) 1.04 6.91 -104.99 4 4 2 60 268.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[1-(8-quinolylmethyl)imidazol-2-yl]butan-2-amine (2S)-1-[1-(8-quinolylmethyl)imid…

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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) 1.57 7.36 -42.55 3 4 1 58 281.383 5 ↓
Lo Low (pH 4.5-6) 1.57 7.96 -108.39 4 4 2 60 282.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[1-(8-quinolylmethyl)imidazol-2-yl]butan-2-amine (2R)-1-[1-(8-quinolylmethyl)imid…

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) 1.57 7.51 -49.76 3 4 1 58 281.383 5 ↓
Lo Low (pH 4.5-6) 1.57 7.73 -105.67 4 4 2 60 282.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-quinolylmethyl)imidazol-2-amine 1-(8-quinolylmethyl)imidazol-2-a…

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) 1.35 8.29 -29.53 3 4 1 58 225.275 2 ↓
Hi High (pH 8-9.5) 1.35 7.79 -10.79 2 4 0 57 224.267 2 ↓

Parameters Provided:

ring.id = 274869
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 = 274869 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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