UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-chlorophenyl)methanone [(3aR)-3a,4,6,7-tetrahydroimidaz…

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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) 1.49 7.03 -42.8 2 4 1 50 262.72 1 ↓
Mid Mid (pH 6-8) 1.49 6.56 -10.15 1 4 0 49 261.712 1 ↓
Mid Mid (pH 6-8) 1.49 7.01 -42.72 2 4 1 50 262.72 1 ↓

Analogs

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Popular Name: 3-[(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile 3-[(3aR)-3a,4,6,7-tetrahydroimid…

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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) 0.54 6.89 -43.6 2 5 1 74 253.285 1 ↓
Mid Mid (pH 6-8) 0.54 6.42 -12.82 1 5 0 73 252.277 1 ↓
Mid Mid (pH 6-8) 0.54 6.87 -49.46 2 5 1 74 253.285 1 ↓

Analogs

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Popular Name: [(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethoxy)phenyl]methanone [(3aR)-3a,4,6,7-tetrahydroimidaz…

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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) 1.78 6.32 -42.28 2 5 1 59 312.271 3 ↓
Mid Mid (pH 6-8) 1.78 5.84 -9.99 1 5 0 58 311.263 3 ↓

Parameters Provided:

ring.id = 380196
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 = 380196 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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