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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclooctylpiperazine-2-carboxamide (2S)-N-cyclooctylpiperazine-2-ca…

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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) 1.40 1.5 -46.61 4 4 1 58 240.371 2 ↓
Mid Mid (pH 6-8) 1.40 0.16 -6.98 3 4 0 53 239.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclooctylpiperazine-2-carboxamide (2R)-N-cyclooctylpiperazine-2-ca…

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) 1.40 1.45 -46.88 4 4 1 58 240.371 2 ↓
Mid Mid (pH 6-8) 1.40 0.1 -6.86 3 4 0 53 239.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-N-cyclooctyl-5-methyl-piperazine-2-carboxamide (2S,5R)-N-cyclooctyl-5-methyl-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) 2.08 2.07 -40.21 4 4 1 58 254.398 2 ↓
Mid Mid (pH 6-8) 2.08 0.91 -7.16 3 4 0 53 253.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-N-cyclooctyl-5-methyl-piperazine-2-carboxamide (2S,5S)-N-cyclooctyl-5-methyl-pi…

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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) 2.08 2.13 -44.85 4 4 1 58 254.398 2 ↓
Mid Mid (pH 6-8) 2.08 0.86 -7.07 3 4 0 53 253.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-N-cyclooctyl-5-methyl-piperazine-2-carboxamide (2R,5R)-N-cyclooctyl-5-methyl-pi…

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) 2.08 2.13 -43.63 4 4 1 58 254.398 2 ↓
Mid Mid (pH 6-8) 2.08 0.86 -6.64 3 4 0 53 253.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-N-cyclooctyl-5-methyl-piperazine-2-carboxamide (2R,5S)-N-cyclooctyl-5-methyl-pi…

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) 2.08 2.04 -42.16 4 4 1 58 254.398 2 ↓
Mid Mid (pH 6-8) 2.08 0.77 -6.55 3 4 0 53 253.39 2 ↓

Parameters Provided:

ring.id = 278935
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 = 278935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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