UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4169400
4169400

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Popular Name: 1-(4-fluorophenyl)-2-(trimethylBLAHyl)sulfanyl-ethanone 1-(4-fluorophenyl)-2-(trimethylB…

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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) 4.39 9.53 -12.26 0 4 0 56 357.454 4 ↓

Analogs

4169399
4169399

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Popular Name: 1-(4-fluorophenyl)-2-(trimethylBLAHyl)sulfanyl-ethanone 1-(4-fluorophenyl)-2-(trimethylB…

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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) 4.39 9.53 -12.27 0 4 0 56 357.454 4 ↓

Analogs

4169402
4169402

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Popular Name: 1-(5-chloro-2-methoxy-phenyl)-2-(trimethylBLAHyl)sulfanyl-ethanone 1-(5-chloro-2-methoxy-phenyl)-2-…

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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) 4.89 10.52 -14.56 0 5 0 65 403.935 5 ↓

Analogs

4169401
4169401

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Popular Name: 1-(5-chloro-2-methoxy-phenyl)-2-(trimethylBLAHyl)sulfanyl-ethanone 1-(5-chloro-2-methoxy-phenyl)-2-…

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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) 4.89 10.52 -14.55 0 5 0 65 403.935 5 ↓

Analogs

4169404
4169404

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Popular Name: 1-(4-chlorophenyl)-2-(trimethylBLAHyl)sulfanyl-ethanone 1-(4-chlorophenyl)-2-(trimethylB…

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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) 4.91 9.98 -11.91 0 4 0 56 373.909 4 ↓

Analogs

4169403
4169403

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Popular Name: 1-(4-chlorophenyl)-2-(trimethylBLAHyl)sulfanyl-ethanone 1-(4-chlorophenyl)-2-(trimethylB…

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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) 4.91 9.98 -11.93 0 4 0 56 373.909 4 ↓

Analogs

929307
929307
929308
929308
1224460
1224460

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Popular Name: N-(2,4-dimethylphenyl)-2-(trimethylBLAHyl)sulfanyl-propanamide N-(2,4-dimethylphenyl)-2-(trimet…

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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) 5.07 0.49 -13.37 1 5 0 67 396.56 4 ↓

Analogs

4169407
4169407

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Popular Name: 1-(2-thienyl)-2-(trimethylBLAHyl)sulfanyl-ethanone 1-(2-thienyl)-2-(trimethylBLAHyl…

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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) 4.13 8.54 -12.89 0 4 0 56 345.493 4 ↓

Analogs

4169406
4169406

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Popular Name: 1-(2-thienyl)-2-(trimethylBLAHyl)sulfanyl-ethanone 1-(2-thienyl)-2-(trimethylBLAHyl…

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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) 4.13 8.54 -12.89 0 4 0 56 345.493 4 ↓

Analogs

4169409
4169409

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Popular Name: 1-(2-fluorophenyl)-2-(trimethylBLAHyl)sulfanyl-ethanone 1-(2-fluorophenyl)-2-(trimethylB…

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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) 4.34 9.54 -16.08 0 4 0 56 357.454 4 ↓

Analogs

4169408
4169408

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Popular Name: 1-(2-fluorophenyl)-2-(trimethylBLAHyl)sulfanyl-ethanone 1-(2-fluorophenyl)-2-(trimethylB…

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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) 4.34 9.55 -16.1 0 4 0 56 357.454 4 ↓

Parameters Provided:

ring.id = 246871
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 = 246871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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