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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-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane 1-[2-(2-methylimidazol-1-yl)ethy…

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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) -0.32 4.54 -78.71 3 4 2 39 210.325 3 ↓
Hi High (pH 8-9.5) -0.32 4.06 -44.71 2 4 1 38 209.317 3 ↓

Analogs

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Popular Name: 4-[4-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepan-1-yl]butan-1-amine 4-[4-[2-(2-methylimidazol-1-yl)e…

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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) -0.38 6.29 -148.85 5 5 3 54 282.456 7 ↓
Hi High (pH 8-9.5) -0.38 5.81 -105.95 4 5 2 53 281.448 7 ↓

Analogs

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Popular Name: 5-[4-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepan-1-yl]pentan-1-amine 5-[4-[2-(2-methylimidazol-1-yl)e…

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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) 0.13 7.07 -143.26 5 5 3 54 296.483 8 ↓
Hi High (pH 8-9.5) 0.13 6.6 -100.34 4 5 2 53 295.475 8 ↓

Analogs

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Popular Name: (3S)-3-[4-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepan-1-yl]pentan-1-amine (3S)-3-[4-[2-(2-methylimidazol-1…

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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) 0.22 6.2 -108.13 4 5 2 53 295.475 7 ↓
Hi High (pH 8-9.5) 0.22 4.13 -49.05 3 5 1 52 294.467 7 ↓
Mid Mid (pH 6-8) 0.22 6.68 -167.69 5 5 3 54 296.483 7 ↓

Analogs

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Popular Name: (3R)-3-[4-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepan-1-yl]pentan-1-amine (3R)-3-[4-[2-(2-methylimidazol-1…

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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) 0.22 6.24 -122.28 4 5 2 53 295.475 7 ↓
Hi High (pH 8-9.5) 0.22 4.43 -51.97 3 5 1 52 294.467 7 ↓
Mid Mid (pH 6-8) 0.22 6.72 -187.4 5 5 3 54 296.483 7 ↓

Parameters Provided:

ring.id = 551545
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 = 551545 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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