UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38000675
38000675
38000676
38000676

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Popular Name: (1R)-N-[(2R)-2-diethylamino-2-phenyl-ethyl]tetralin-1-carboxamide (1R)-N-[(2R)-2-diethylamino-2-ph…

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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) 4.16 12.12 -41.94 2 3 1 34 351.514 7 ↓

Analogs

38000675
38000675
38000676
38000676

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(2S)-2-diethylamino-2-phenyl-ethyl]tetralin-1-carboxamide (1R)-N-[(2S)-2-diethylamino-2-ph…

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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) 4.16 12.19 -43.86 2 3 1 34 351.514 7 ↓

Analogs

38000675
38000675
38000676
38000676

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(2R)-2-diethylamino-2-phenyl-ethyl]tetralin-1-carboxamide (1S)-N-[(2R)-2-diethylamino-2-ph…

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) 4.16 12.29 -45.29 2 3 1 34 351.514 7 ↓

Analogs

38000675
38000675
38000676
38000676

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(2S)-2-diethylamino-2-phenyl-ethyl]tetralin-1-carboxamide (1S)-N-[(2S)-2-diethylamino-2-ph…

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) 4.16 11.92 -41.37 2 3 1 34 351.514 7 ↓

Analogs

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Popular Name: (1R)-N-[2-(m-tolyl)ethyl]tetralin-1-carboxamide (1R)-N-[2-(m-tolyl)ethyl]tetrali…

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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) 4.02 10.51 -9.43 1 2 0 29 293.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[2-(m-tolyl)ethyl]tetralin-1-carboxamide (1S)-N-[2-(m-tolyl)ethyl]tetrali…

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) 4.02 10.54 -9.51 1 2 0 29 293.41 4 ↓

Parameters Provided:

ring.id = 132706
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 = 132706 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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