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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (1S)-N-cyclopropyl-N-(2-hydroxyethyl)tetralin-1-carboxamide (1S)-N-cyclopropyl-N-(2-hydroxye…

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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) 1.77 6.16 -8.44 1 3 0 41 259.349 4 ↓

Analogs

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Popular Name: (1R)-N-cyclopropyl-N-(2-hydroxyethyl)tetralin-1-carboxamide (1R)-N-cyclopropyl-N-(2-hydroxye…

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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) 1.77 6.2 -8.44 1 3 0 41 259.349 4 ↓

Analogs

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Popular Name: (1S)-N-(3-aminopropyl)-N-cyclopropyl-tetralin-1-carboxamide (1S)-N-(3-aminopropyl)-N-cyclopr…

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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) 1.48 6.83 -48.39 3 3 1 48 273.4 5 ↓

Analogs

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Popular Name: (1R)-N-(3-aminopropyl)-N-cyclopropyl-tetralin-1-carboxamide (1R)-N-(3-aminopropyl)-N-cyclopr…

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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) 1.48 7.29 -48.7 3 3 1 48 273.4 5 ↓

Analogs

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Popular Name: (1S)-N-(2-aminoethyl)-N-cyclopropyl-tetralin-1-carboxamide (1S)-N-(2-aminoethyl)-N-cyclopro…

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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) 1.21 6.06 -48.34 3 3 1 48 259.373 4 ↓
Hi High (pH 8-9.5) 1.21 6.18 -8.36 2 3 0 46 258.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(2-aminoethyl)-N-cyclopropyl-tetralin-1-carboxamide (1R)-N-(2-aminoethyl)-N-cyclopro…

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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) 1.21 6.89 -57.37 3 3 1 48 259.373 4 ↓
Hi High (pH 8-9.5) 1.21 6.17 -8.32 2 3 0 46 258.365 4 ↓

Analogs

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Popular Name: (1S)-N-(3-amino-3-thioxo-propyl)-N-cyclopropyl-tetralin-1-carboxamide (1S)-N-(3-amino-3-thioxo-propyl)…

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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) 1.59 7.8 -14.57 2 3 0 46 302.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3-amino-3-thioxo-propyl)-N-cyclopropyl-tetralin-1-carboxamide (1R)-N-(3-amino-3-thioxo-propyl)…

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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) 1.59 8.26 -13.66 2 3 0 46 302.443 5 ↓

Parameters Provided:

ring.id = 63539
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 = 63539 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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