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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: methyl methyl

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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) 2.36 4.8 -17.18 1 7 0 84 340.383 4 ↓
Mid Mid (pH 6-8) 2.36 7 -51.13 2 7 1 85 341.391 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.36 4.77 -11.94 1 7 0 84 340.383 4 ↓
Mid Mid (pH 6-8) 2.36 6.97 -46.18 2 7 1 85 341.391 4 ↓

Analogs

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Popular Name: 3-isopropyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,2,4-oxadiazole 3-isopropyl-5-[(1R)-1-(1,3,4,5-t…

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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) 3.27 5.24 -12.05 1 5 0 58 310.401 3 ↓
Lo Low (pH 4.5-6) 3.27 7.42 -44.7 2 5 1 59 311.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-5-[(1S)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,2,4-oxadiazole 3-isopropyl-5-[(1S)-1-(1,3,4,5-t…

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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) 3.27 5.2 -8.58 1 5 0 58 310.401 3 ↓
Lo Low (pH 4.5-6) 3.27 7.4 -41.9 2 5 1 59 311.409 3 ↓

Parameters Provided:

ring.id = 377460
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 = 377460 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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