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

Analogs

42857863
42857863
42857865
42857865
42857868
42857868
42857871
42857871

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]methyl]quinolin-2-ol 3-[[[(1R,2R,3R)-2,3-dimethylcycl…

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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) 3.04 6.81 -38.55 3 3 1 49 285.411 3 ↓

Analogs

42857863
42857863
42857865
42857865
42857868
42857868
42857871
42857871

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]methyl]quinolin-2-ol 3-[[[(1R,2R,3S)-2,3-dimethylcycl…

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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) 3.04 7.03 -38.79 3 3 1 49 285.411 3 ↓

Analogs

42857863
42857863
42857865
42857865
42857868
42857868
42857871
42857871

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]methyl]quinolin-2-ol 3-[[[(1S,2R,3R)-2,3-dimethylcycl…

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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) 3.04 6.98 -39.74 3 3 1 49 285.411 3 ↓

Analogs

42857863
42857863
42857865
42857865
42857868
42857868
42857871
42857871

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]methyl]quinolin-2-ol 3-[[[(1S,2R,3S)-2,3-dimethylcycl…

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) 3.04 7.41 -37.11 3 3 1 49 285.411 3 ↓

Analogs

12127168
12127168

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) 3.58 0.83 -47.2 2 5 1 65 363.865 6 ↓

Analogs

12708392
12708392

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3,3-diethyl-urea 1-cyclohexyl-1-[(6-ethoxy-2-oxo-…

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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) 3.85 11.16 -17.69 1 6 0 66 399.535 7 ↓

Analogs

4130515
4130515
4131195
4131195

Draw Identity 99% 90% 80% 70%

Popular Name: 3-((cyclohexylamino)methyl)-7-methylquinolin-2-ol 3-((cyclohexylamino)methyl)-7-me…

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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) 2.98 7.42 -39.68 3 3 1 49 271.384 3 ↓

Analogs

21787621
21787621
36791970
36791970
36791971
36791971
37031268
37031268
37031269
37031269

Draw Identity 99% 90% 80% 70%

Popular Name: 3-((cyclohexylamino)methyl)-6-methylquinolin-2-ol 3-((cyclohexylamino)methyl)-6-me…

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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) 2.98 7.43 -39.53 3 3 1 49 271.384 3 ↓

Analogs

4231151
4231151

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]propionamide N-cyclohexyl-N-[(2-keto-6,7-dime…

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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) 2.62 0.03 -10.81 1 6 0 71 372.465 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]methyl]quinolin-2-ol 3-[[[(1S,2R,4R)-2,4-dimethylcycl…

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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) 2.80 8.19 -36.69 3 3 1 49 285.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]methyl]quinolin-2-ol 3-[[[(1S,2R,4S)-2,4-dimethylcycl…

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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) 2.80 7.77 -38.88 3 3 1 49 285.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]methyl]quinolin-2-ol 3-[[[(1R,2R,4R)-2,4-dimethylcycl…

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) 2.80 7.98 -39.05 3 3 1 49 285.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]methyl]quinolin-2-ol 3-[[[(1R,2R,4S)-2,4-dimethylcycl…

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) 2.80 7.75 -39.18 3 3 1 49 285.411 3 ↓

Parameters Provided:

ring.id = 55721
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 = 55721 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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