UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-1-(1-methylimidazol-2-yl)-1-tetralin-6-yl-ethanol (1R)-1-(1-methylimidazol-2-yl)-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) 2.03 7.58 -28.86 2 3 1 39 257.357 2 ↓
Mid Mid (pH 6-8) 2.03 7.16 -7.63 1 3 0 38 256.349 2 ↓

Analogs

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Popular Name: (1S)-1-(1-methylimidazol-2-yl)-1-tetralin-6-yl-ethanol (1S)-1-(1-methylimidazol-2-yl)-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) 2.03 7.5 -29.33 2 3 1 39 257.357 2 ↓
Mid Mid (pH 6-8) 2.03 7.55 -6.4 1 3 0 38 256.349 2 ↓

Analogs

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Popular Name: (1R)-1-(1-propylimidazol-2-yl)-1-tetralin-6-yl-ethanol (1R)-1-(1-propylimidazol-2-yl)-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) 2.90 9.94 -27.99 2 3 1 39 285.411 4 ↓
Mid Mid (pH 6-8) 2.90 9.08 -6.03 1 3 0 38 284.403 4 ↓

Analogs

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Popular Name: (1S)-1-(1-propylimidazol-2-yl)-1-tetralin-6-yl-ethanol (1S)-1-(1-propylimidazol-2-yl)-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) 2.90 9.39 -28.05 2 3 1 39 285.411 4 ↓
Mid Mid (pH 6-8) 2.90 9.36 -5.51 1 3 0 38 284.403 4 ↓

Analogs

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Popular Name: (1R)-1-(1-ethylimidazol-2-yl)-1-tetralin-6-yl-ethanol (1R)-1-(1-ethylimidazol-2-yl)-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) 2.40 9.2 -28.18 2 3 1 39 271.384 3 ↓
Mid Mid (pH 6-8) 2.40 8.33 -6.4 1 3 0 38 270.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-ethylimidazol-2-yl)-1-tetralin-6-yl-ethanol (1S)-1-(1-ethylimidazol-2-yl)-1-…

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) 2.40 8.65 -28.15 2 3 1 39 271.384 3 ↓
Mid Mid (pH 6-8) 2.40 8.6 -5.77 1 3 0 38 270.376 3 ↓

Parameters Provided:

ring.id = 345444
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 = 345444 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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