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

Analogs

12214802
12214802
12214803
12214803
12214804
12214804
12214870
12214870
12214871
12214871

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] [(1S)-1-methyl-2-[[(1R,2S)-2-met…

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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) 3.49 1.98 -13.09 1 7 0 86 358.442 6 ↓

Analogs

12214803
12214803
12214804
12214804
12214870
12214870
12214801
12214801
5805229
5805229

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-methyl-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] [(1R)-1-methyl-2-[[(1R,2S)-2-met…

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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) 3.49 1.92 -13.14 1 7 0 86 358.442 6 ↓

Analogs

12214804
12214804
12214870
12214870
12214801
12214801
12214802
12214802
5805229
5805229

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] [(1S)-1-methyl-2-[[(1S,2S)-2-met…

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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) 3.49 1.44 -13.63 1 7 0 86 358.442 6 ↓

Analogs

12214870
12214870
12214801
12214801
12214802
12214802
12214803
12214803

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] [(1R)-1-methyl-2-[[(1S,2S)-2-met…

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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) 3.49 1.37 -13.53 1 7 0 86 358.442 6 ↓

Analogs

12214893
12214893
39574210
39574210
39574212
39574212
10857064
10857064

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(cyclohexyl-ethyl-amino)-2-oxo-ethyl] [2-(cyclohexyl-ethyl-amino)-2-ox…

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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) 3.51 9.93 -12.66 0 7 0 77 358.442 7 ↓

Analogs

12214871
12214871
12214872
12214872
12214873
12214873
5805229
5805229
5805230
5805230

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[(1R,2S,3R)-2,3-dimethy…

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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) 3.74 2.37 -12.91 1 7 0 86 372.469 6 ↓

Analogs

12214872
12214872
12214873
12214873
5805229
5805229
5805230
5805230
5805231
5805231

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(1R,2S,3R)-2,3-dimethy…

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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) 3.74 2.3 -12.91 1 7 0 86 372.469 6 ↓

Analogs

12214873
12214873
5805229
5805229
5805230
5805230
5805231
5805231

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[(1S,2S,3R)-2,3-dimethy…

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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) 3.74 1.75 -13.43 1 7 0 86 372.469 6 ↓

Analogs

5805229
5805229
5805230
5805230
5805231
5805231

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(1S,2S,3R)-2,3-dimethy…

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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) 3.74 1.75 -13.4 1 7 0 86 372.469 6 ↓

Analogs

12214860
12214860
10857064
10857064

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(cyclohexyl-methyl-amino)-2-oxo-ethyl] [2-(cyclohexyl-methyl-amino)-2-o…

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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) 3.14 9.08 -13.53 0 7 0 77 344.415 6 ↓

Parameters Provided:

ring.id = 90417
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 = 90417 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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