UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: trimethyl(methylsulfonyl)BLAHol trimethyl(methylsulfonyl)BLAHol

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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) 3.80 5.65 -14.55 1 5 0 72 404.576 1 ↓

Analogs

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Popular Name: trimethyl(methylsulfonyl)BLAHol trimethyl(methylsulfonyl)BLAHol

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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) 3.80 5.7 -14.65 1 5 0 72 404.576 1 ↓

Analogs

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Popular Name: ethynyl-dimethyl-methylsulfonyl-BLAHol ethynyl-dimethyl-methylsulfonyl-…

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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) 3.59 6.23 -15.58 1 5 0 72 414.571 1 ↓

Analogs

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Popular Name: ethynyl-dimethyl-methylsulfonyl-BLAHol ethynyl-dimethyl-methylsulfonyl-…

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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) 3.59 6.18 -15.38 1 5 0 72 414.571 1 ↓

Analogs

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Popular Name: ethynyl-dimethyl-methylsulfonyl-BLAHol ethynyl-dimethyl-methylsulfonyl-…

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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) 3.59 6.07 -15.3 1 5 0 72 414.571 1 ↓

Analogs

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Popular Name: ethynyl-dimethyl-methylsulfonyl-BLAHol ethynyl-dimethyl-methylsulfonyl-…

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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) 3.59 6.16 -15.86 1 5 0 72 414.571 1 ↓

Analogs

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Popular Name: chloro-ethynyl-dimethyl-methylsulfonyl-BLAHol chloro-ethynyl-dimethyl-methylsu…

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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) 3.86 6.63 -16.49 1 5 0 72 449.016 1 ↓

Analogs

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Popular Name: chloro-ethynyl-dimethyl-methylsulfonyl-BLAHol chloro-ethynyl-dimethyl-methylsu…

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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) 3.86 6.56 -16.42 1 5 0 72 449.016 1 ↓

Analogs

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Popular Name: chloro-ethynyl-dimethyl-methylsulfonyl-BLAHol chloro-ethynyl-dimethyl-methylsu…

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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) 3.86 6.48 -16.33 1 5 0 72 449.016 1 ↓

Analogs

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Popular Name: chloro-ethynyl-dimethyl-methylsulfonyl-BLAHol chloro-ethynyl-dimethyl-methylsu…

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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) 3.86 6.57 -16.99 1 5 0 72 449.016 1 ↓

Analogs

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Popular Name: tetramethyl(methylsulfonyl)BLAHol tetramethyl(methylsulfonyl)BLAHol

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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) 3.86 6.2 -14.32 1 5 0 72 418.603 1 ↓

Analogs

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Popular Name: tetramethyl(methylsulfonyl)BLAHol tetramethyl(methylsulfonyl)BLAHol

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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) 3.86 6.29 -14.66 1 5 0 72 418.603 1 ↓

Parameters Provided:

ring.id = 509246
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 = 509246 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=509246&filter.purchasability=annotated

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