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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19939162
19939162

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Popular Name: methyl-(2-methylprop-2-enylsulfanyl)-(p-tolyl)BLAHone methyl-(2-methylprop-2-enylsulfa…

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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) 4.49 14.18 -12.56 0 6 0 55 437.594 4 ↓

Analogs

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Popular Name: methyl-(o-tolyl)BLAHone methyl-(o-tolyl)BLAHone

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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) 2.54 12.31 -14.55 0 6 0 55 351.435 1 ↓

Analogs

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Popular Name: methyl-(p-tolyl)-sulfanyl-BLAHone methyl-(p-tolyl)-sulfanyl-BLAHone

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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) 3.09 11.57 -43.7 0 6 -1 55 382.494 1 ↓
Mid Mid (pH 6-8) 2.36 11.72 -11.96 1 6 0 58 383.502 1 ↓
Mid Mid (pH 6-8) 3.09 14.03 -68.48 1 6 0 57 383.502 1 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.57 12.81 -13.02 0 8 0 82 475.983 5 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)-methyl-oxo-BLAHyl]sulfanyl-N,N-diethyl-acetamide 2-[(3-chlorophenyl)-methyl-oxo-B…

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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) 3.81 14.27 -14.18 0 8 0 76 517.08 6 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)-methyl-oxo-BLAHyl]sulfanylacetamide 2-[(3-chlorophenyl)-methyl-oxo-B…

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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) 2.44 8.82 -17.08 2 8 0 99 460.972 4 ↓

Parameters Provided:

ring.id = 56928
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 = 56928 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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