UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35151166
35151166
35151167
35151167

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Popular Name: N-methyl-1-[(2S)-pyrrolidin-2-yl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]methanamine N-methyl-1-[(2S)-pyrrolidin-2-yl…

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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 3.7 -29.24 2 3 1 29 213.345 4 ↓
Mid Mid (pH 6-8) 1.40 4.67 -29.7 2 3 1 26 213.345 4 ↓

Analogs

35151166
35151166
35151167
35151167

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Popular Name: N-methyl-1-[(2R)-pyrrolidin-2-yl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]methanamine N-methyl-1-[(2R)-pyrrolidin-2-yl…

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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 3.32 -30.42 2 3 1 29 213.345 4 ↓
Mid Mid (pH 6-8) 1.40 4.49 -32.01 2 3 1 26 213.345 4 ↓

Analogs

53649024
53649024
53649027
53649027
69078356
69078356
69078360
69078360
35151166
35151166

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Popular Name: N-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methyl]-N-methyl-1-[(2S)-tetrahydropyran-2-yl]methanamine N-[[(2S,4S)-4-methoxypyrrolidin-…

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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) 1.10 3.63 -32.01 2 4 1 35 243.371 5 ↓
Mid Mid (pH 6-8) 1.10 4.73 -110.48 3 4 2 40 244.379 5 ↓

Analogs

53649024
53649024
53649027
53649027
69078356
69078356
69078360
69078360
35151166
35151166

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methyl]-N-methyl-1-[(2R)-tetrahydropyran-2-yl]methanamine N-[[(2S,4S)-4-methoxypyrrolidin-…

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) 1.10 3.64 -32.61 2 4 1 35 243.371 5 ↓
Mid Mid (pH 6-8) 1.10 4.76 -111.51 3 4 2 40 244.379 5 ↓

Parameters Provided:

ring.id = 620224
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 = 620224 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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