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

Analogs

41790594
41790594
41904702
41904702
41904704
41904704
3636143
3636143

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Popular Name: [(1R)-1-(p-tolyl)ethyl] [(1R)-1-(p-tolyl)ethyl]

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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) 2.61 7.38 -10 1 4 0 59 257.289 4 ↓

Analogs

41904702
41904702
41904704
41904704
41790590
41790590
3636143
3636143

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Popular Name: [(1S)-1-(p-tolyl)ethyl] [(1S)-1-(p-tolyl)ethyl]

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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) 2.61 7.39 -10.01 1 4 0 59 257.289 4 ↓

Analogs

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Popular Name: (2-fluorophenyl)methyl (2-fluorophenyl)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) 1.91 6.12 -11.38 1 4 0 59 247.225 4 ↓

Analogs

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Popular Name: (4-chlorophenyl)methyl (4-chlorophenyl)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) 2.47 6.57 -10.33 1 4 0 59 263.68 4 ↓

Analogs

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Popular Name: (3-fluorophenyl)methyl (3-fluorophenyl)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) 1.93 6.12 -11.11 1 4 0 59 247.225 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)methyl (4-fluorophenyl)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) 1.96 6.12 -10.89 1 4 0 59 247.225 4 ↓

Analogs

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Popular Name: (4-methoxyphenyl)methyl (4-methoxyphenyl)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) 1.85 5.35 -11.43 1 5 0 68 259.261 5 ↓

Analogs

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Popular Name: (2-methoxyphenyl)methyl (2-methoxyphenyl)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) 1.80 5.41 -11.78 1 5 0 68 259.261 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxyphenyl)methyl (3-methoxyphenyl)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) 1.83 5.35 -11.64 1 5 0 68 259.261 5 ↓

Analogs

41898552
41898552

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Popular Name: [(1S)-1-(4-chlorophenyl)ethyl] [(1S)-1-(4-chlorophenyl)ethyl]

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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) 2.83 7.23 -10.15 1 4 0 59 277.707 4 ↓

Analogs

41898549
41898549

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Popular Name: [(1R)-1-(4-chlorophenyl)ethyl] [(1R)-1-(4-chlorophenyl)ethyl]

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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) 2.83 7.23 -10.13 1 4 0 59 277.707 4 ↓

Analogs

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Popular Name: (4-isopropylphenyl)methyl (4-isopropylphenyl)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) 3.31 7.98 -9.82 1 4 0 59 271.316 5 ↓

Analogs

41904704
41904704
41790590
41790590
41790594
41790594
3636143
3636143

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-phenylethyl] [(1S)-1-phenylethyl]

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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) 2.16 6.71 -10.02 1 4 0 59 243.262 4 ↓

Analogs

41790590
41790590
41790594
41790594
41904702
41904702
3636143
3636143

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-phenylethyl] [(1R)-1-phenylethyl]

Find On: PubMed — Wikipedia — Google

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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) 2.16 6.71 -10.01 1 4 0 59 243.262 4 ↓

Parameters Provided:

ring.id = 157166
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 = 157166 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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