UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10150692
10150692
10150696
10150696
10150698
10150698

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Popular Name: (1R,6S)-N-(4-bromophenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (1R,6S)-N-(4-bromophenyl)-6-(mor…

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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) 2.78 6.67 -13.91 1 5 0 59 393.281 3 ↓

Analogs

10150692
10150692
10150696
10150696
10150698
10150698

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6S)-N-(4-bromophenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (1S,6S)-N-(4-bromophenyl)-6-(mor…

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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) 2.78 7.49 -12.45 1 5 0 59 393.281 3 ↓

Analogs

10150692
10150692
10150696
10150696
10150698
10150698

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6R)-N-(4-bromophenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (1R,6R)-N-(4-bromophenyl)-6-(mor…

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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) 2.78 7.59 -13.09 1 5 0 59 393.281 3 ↓

Analogs

10150692
10150692
10150696
10150696
10150698
10150698

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6R)-N-(4-bromophenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (1S,6R)-N-(4-bromophenyl)-6-(mor…

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) 2.78 6.72 -10.93 1 5 0 59 393.281 3 ↓

Analogs

28167159
28167159
28167155
28167155
28167151
28167151

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Popular Name: (1R,6S)-N-(4-chlorophenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (1R,6S)-N-(4-chlorophenyl)-6-(mo…

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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) 2.65 6.56 -13.81 1 5 0 59 348.83 3 ↓

Analogs

28167159
28167159
28167155
28167155
28167151
28167151

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6S)-N-(4-chlorophenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (1S,6S)-N-(4-chlorophenyl)-6-(mo…

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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) 2.65 7.39 -12.49 1 5 0 59 348.83 3 ↓

Analogs

28167159
28167159
28167155
28167155
28167151
28167151

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6R)-N-(4-chlorophenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (1R,6R)-N-(4-chlorophenyl)-6-(mo…

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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) 2.65 7.48 -13.14 1 5 0 59 348.83 3 ↓

Analogs

28167159
28167159
28167155
28167155
28167151
28167151

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6R)-N-(4-chlorophenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (1S,6R)-N-(4-chlorophenyl)-6-(mo…

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) 2.65 6.62 -10.9 1 5 0 59 348.83 3 ↓

Analogs

28166845
28166845
28166840
28166840
28166854
28166854

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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) 2.15 6.7 -16.25 1 7 0 85 372.421 5 ↓

Analogs

28166845
28166845
28166840
28166840
28166854
28166854

Draw Identity 99% 90% 80% 70%

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) 2.15 7.53 -15.31 1 7 0 85 372.421 5 ↓

Analogs

28166845
28166845
28166840
28166840
28166854
28166854

Draw Identity 99% 90% 80% 70%

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) 2.15 7.62 -15.74 1 7 0 85 372.421 5 ↓

Analogs

28166845
28166845
28166840
28166840
28166854
28166854

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 2.15 6.76 -14.07 1 7 0 85 372.421 5 ↓

Parameters Provided:

ring.id = 6201
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 = 6201 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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