UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21796278
21796278

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Popular Name: 1-benzyl-N-(4-methylcyclohexyl)piperidin-4-amine 1-benzyl-N-(4-methylcyclohexyl)p…

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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) 3.59 8.84 -37.19 2 2 1 20 287.471 4 ↓

Analogs

21796278
21796278

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Popular Name: 1-benzyl-N-(4-ethylcyclohexyl)piperidin-4-amine 1-benzyl-N-(4-ethylcyclohexyl)pi…

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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) 4.28 9.47 -37.37 2 2 1 20 301.498 5 ↓

Analogs

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Popular Name: (1S,2R)-2-[(1-benzyl-4-piperidyl)amino]cyclohexanol (1S,2R)-2-[(1-benzyl-4-piperidyl…

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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) 2.67 7.36 -106.27 4 3 2 41 290.451 4 ↓
Hi High (pH 8-9.5) 2.67 6.29 -37.37 3 3 1 37 289.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(1-benzyl-4-piperidyl)amino]cyclohexanol (1S,2S)-2-[(1-benzyl-4-piperidyl…

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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) 2.67 7.24 -104.2 4 3 2 41 290.451 4 ↓
Hi High (pH 8-9.5) 2.67 6.17 -36.21 3 3 1 37 289.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(1-benzyl-4-piperidyl)amino]cyclohexanol (1R,2R)-2-[(1-benzyl-4-piperidyl…

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) 2.67 7.24 -104.22 4 3 2 41 290.451 4 ↓
Hi High (pH 8-9.5) 2.67 6.24 -35.1 3 3 1 37 289.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(1-benzyl-4-piperidyl)amino]cyclohexanol (1R,2S)-2-[(1-benzyl-4-piperidyl…

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) 2.67 7.36 -106.27 4 3 2 41 290.451 4 ↓
Hi High (pH 8-9.5) 2.67 6.28 -36.14 3 3 1 37 289.443 4 ↓

Parameters Provided:

ring.id = 59982
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 = 59982 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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