UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[(2R,4R)-4-methoxypyrrolidin-2-yl]methyl]-N-(3-thienylmethyl)cyclopropanamine N-[[(2R,4R)-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) 1.57 5.93 -34.91 2 3 1 26 267.418 6 ↓
Mid Mid (pH 6-8) 1.57 6.71 -115.98 3 3 2 30 268.426 6 ↓
Mid Mid (pH 6-8) 1.57 4.43 -33.92 2 3 1 29 267.418 6 ↓

Analogs

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Popular Name: N-[[(2R,4S)-4-methoxypyrrolidin-2-yl]methyl]-N-(3-thienylmethyl)cyclopropanamine N-[[(2R,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) 1.57 6.22 -36.78 2 3 1 26 267.418 6 ↓
Mid Mid (pH 6-8) 1.57 6.91 -115.45 3 3 2 30 268.426 6 ↓
Mid Mid (pH 6-8) 1.57 4.88 -35.6 2 3 1 29 267.418 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,4R)-4-methoxypyrrolidin-2-yl]methyl]-N-(3-thienylmethyl)cyclopropanamine N-[[(2S,4R)-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) 1.57 5.48 -33.45 2 3 1 26 267.418 6 ↓
Mid Mid (pH 6-8) 1.57 6.81 -118.94 3 3 2 30 268.426 6 ↓
Mid Mid (pH 6-8) 1.57 4.54 -34.93 2 3 1 29 267.418 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methyl]-N-(3-thienylmethyl)cyclopropanamine 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) 1.57 5.64 -34.34 2 3 1 26 267.418 6 ↓
Mid Mid (pH 6-8) 1.57 6.87 -120.32 3 3 2 30 268.426 6 ↓
Mid Mid (pH 6-8) 1.57 4.81 -37.13 2 3 1 29 267.418 6 ↓

Parameters Provided:

ring.id = 620460
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 = 620460 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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