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

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(5-bromo-2-pyridyl)methyl]-1-methyl-pyrrolidin-3-amine (3S)-N-[(5-bromo-2-pyridyl)methy…

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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) 1.45 4.42 -35 2 3 1 29 271.182 3 ↓
Hi High (pH 8-9.5) 1.45 1.73 -2.86 1 3 0 28 270.174 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(5-bromo-2-pyridyl)methyl]-1-methyl-pyrrolidin-3-amine (3R)-N-[(5-bromo-2-pyridyl)methy…

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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) 1.45 4.41 -34.92 2 3 1 29 271.182 3 ↓
Hi High (pH 8-9.5) 1.45 1.84 -3.03 1 3 0 28 270.174 3 ↓

Analogs

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Popular Name: (3R)-N-ethyl-N-[(6-methoxy-2-pyridyl)methyl]pyrrolidin-3-amine (3R)-N-ethyl-N-[(6-methoxy-2-pyr…

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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) 1.25 2.55 -34.37 2 4 1 39 236.339 5 ↓
Hi High (pH 8-9.5) 1.25 0.49 -4.46 1 4 0 37 235.331 5 ↓
Hi High (pH 8-9.5) 1.25 1.94 -43.08 2 4 1 42 236.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-N-[(6-methoxy-2-pyridyl)methyl]pyrrolidin-3-amine (3S)-N-ethyl-N-[(6-methoxy-2-pyr…

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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) 1.25 2.61 -33.99 2 4 1 39 236.339 5 ↓
Hi High (pH 8-9.5) 1.25 0.61 -4.2 1 4 0 37 235.331 5 ↓
Hi High (pH 8-9.5) 1.25 2.04 -44.73 2 4 1 42 236.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(6-methoxy-2-pyridyl)methyl]-N-propyl-pyrrolidin-3-amine (3R)-N-[(6-methoxy-2-pyridyl)met…

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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) 1.75 2.32 -36.27 2 4 1 39 250.366 6 ↓
Hi High (pH 8-9.5) 1.75 0.8 -5.05 1 4 0 37 249.358 6 ↓
Hi High (pH 8-9.5) 1.75 2.21 -39.46 2 4 1 42 250.366 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(6-methoxy-2-pyridyl)methyl]-N-propyl-pyrrolidin-3-amine (3S)-N-[(6-methoxy-2-pyridyl)met…

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) 1.75 3.88 -36 2 4 1 39 250.366 6 ↓
Hi High (pH 8-9.5) 1.75 0.74 -5 1 4 0 37 249.358 6 ↓
Hi High (pH 8-9.5) 1.75 2.69 -37.88 2 4 1 42 250.366 6 ↓

Parameters Provided:

ring.id = 501866
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 = 501866 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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