UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S)-1-(1-methylimidazol-2-yl)tetralin-1-ol (1S)-1-(1-methylimidazol-2-yl)te…

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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) 1.25 5.36 -28.34 2 3 1 39 229.303 1 ↓
Mid Mid (pH 6-8) 1.25 4.85 -8.1 1 3 0 38 228.295 1 ↓

Analogs

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Popular Name: (1R)-1-(1-methylimidazol-2-yl)tetralin-1-ol (1R)-1-(1-methylimidazol-2-yl)te…

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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) 1.25 5.36 -28.93 2 3 1 39 229.303 1 ↓
Mid Mid (pH 6-8) 1.25 4.82 -8.17 1 3 0 38 228.295 1 ↓

Analogs

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Popular Name: (1S)-1-(1-propylimidazol-2-yl)tetralin-1-ol (1S)-1-(1-propylimidazol-2-yl)te…

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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) 2.13 7.64 -27.48 2 3 1 39 257.357 3 ↓
Mid Mid (pH 6-8) 2.13 7.28 -6.99 1 3 0 38 256.349 3 ↓

Analogs

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Popular Name: (1R)-1-(1-propylimidazol-2-yl)tetralin-1-ol (1R)-1-(1-propylimidazol-2-yl)te…

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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) 2.13 7.85 -26.91 2 3 1 39 257.357 3 ↓
Mid Mid (pH 6-8) 2.13 7.51 -6.35 1 3 0 38 256.349 3 ↓

Analogs

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Popular Name: (1S)-1-(1-ethylimidazol-2-yl)tetralin-1-ol (1S)-1-(1-ethylimidazol-2-yl)tet…

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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) 1.62 7 -27.32 2 3 1 39 243.33 2 ↓
Mid Mid (pH 6-8) 1.62 6.53 -7.35 1 3 0 38 242.322 2 ↓

Analogs

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Popular Name: (1R)-1-(1-ethylimidazol-2-yl)tetralin-1-ol (1R)-1-(1-ethylimidazol-2-yl)tet…

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) 1.62 7.1 -26.36 2 3 1 39 243.33 2 ↓
Mid Mid (pH 6-8) 1.62 6.76 -6.54 1 3 0 38 242.322 2 ↓

Parameters Provided:

ring.id = 345426
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 = 345426 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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