UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-N-(cyclohexylmethyl)-N-cyclopropyl-3-ethyl-piperidine-3-carboxamide (3S)-N-(cyclohexylmethyl)-N-cycl…

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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) 3.10 8.56 -33.96 2 3 1 37 293.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(cyclohexylmethyl)-N-cyclopropyl-3-ethyl-piperidine-3-carboxamide (3R)-N-(cyclohexylmethyl)-N-cycl…

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) 3.10 8.81 -34.79 2 3 1 37 293.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(cyclohexylmethyl)-N-cyclopropyl-3-methyl-piperidine-3-carboxamide (3S)-N-(cyclohexylmethyl)-N-cycl…

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) 2.77 7.51 -34.98 2 3 1 37 279.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(cyclohexylmethyl)-N-cyclopropyl-3-methyl-piperidine-3-carboxamide (3R)-N-(cyclohexylmethyl)-N-cycl…

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) 2.77 8.32 -36.82 2 3 1 37 279.448 4 ↓

Analogs

12314179
12314179
12314178
12314178
23337355
23337355

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(cyclohexylmethyl)-N-cyclopropyl-piperidine-3-carboxamide (3R)-N-(cyclohexylmethyl)-N-cycl…

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) 2.53 7.9 -42.68 2 3 1 37 265.421 4 ↓

Analogs

12314179
12314179
12314178
12314178
23337355
23337355

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(cyclohexylmethyl)-N-cyclopropyl-piperidine-3-carboxamide (3S)-N-(cyclohexylmethyl)-N-cycl…

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) 2.53 7.67 -43.19 2 3 1 37 265.421 4 ↓

Parameters Provided:

ring.id = 292365
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 = 292365 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=292365&filter.purchasability=annotated

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