UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19726186
19726186

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Popular Name: (2S)-2-cyclopropyl-2-tetralin-6-yl-ethanamine (2S)-2-cyclopropyl-2-tetralin-6-…

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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) 3.24 7.61 -46.4 3 1 1 28 216.348 3 ↓

Analogs

19726185
19726185

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Popular Name: (2R)-2-cyclopropyl-2-tetralin-6-yl-ethanamine (2R)-2-cyclopropyl-2-tetralin-6-…

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) 3.24 7.56 -42.33 3 1 1 28 216.348 3 ↓

Analogs

19726470
19726470

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Popular Name: (2S)-2-cyclopropyl-2-tetralin-6-yl-acetic (2S)-2-cyclopropyl-2-tetralin-6-…

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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) 3.68 9.37 -51.5 0 2 -1 40 229.299 3 ↓

Analogs

19726469
19726469

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Popular Name: (2R)-2-cyclopropyl-2-tetralin-6-yl-acetic (2R)-2-cyclopropyl-2-tetralin-6-…

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) 3.68 9.36 -49.72 0 2 -1 40 229.299 3 ↓

Parameters Provided:

ring.id = 28752
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 = 28752 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=28752&filter.purchasability=annotated

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