UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R,7R)-2-(3-ethylimidazol-4-yl)-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[4,5-c]azepin-4-on (2R,7R)-2-(3-ethylimidazol-4-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) 2.17 7.14 -23.42 2 7 0 85 351.41 4 ↓
Lo Low (pH 4.5-6) 2.17 7.64 -43.45 3 7 1 86 352.418 4 ↓

Analogs

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Popular Name: (2R,7S)-2-(3-ethylimidazol-4-yl)-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[4,5-c]azepin-4-on (2R,7S)-2-(3-ethylimidazol-4-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) 2.17 7.15 -23.53 2 7 0 85 351.41 4 ↓
Lo Low (pH 4.5-6) 2.17 7.56 -43.37 3 7 1 86 352.418 4 ↓

Analogs

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Popular Name: (2R,7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-2H-imidazo[4,5-c]a (2R,7R)-7-(4-fluorophenyl)-2-[3-…

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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) 1.90 6.96 -21.33 2 7 0 85 369.4 5 ↓
Lo Low (pH 4.5-6) 1.90 7.47 -46.06 3 7 1 86 370.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,7S)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-2H-imidazo[4,5-c]a (2R,7S)-7-(4-fluorophenyl)-2-[3-…

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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) 1.90 6.96 -21.19 2 7 0 85 369.4 5 ↓
Lo Low (pH 4.5-6) 1.90 7.39 -46.05 3 7 1 86 370.408 5 ↓

Parameters Provided:

ring.id = 407116
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 = 407116 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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