UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37859689
37859689
37859690
37859690

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Popular Name: N-(4-pyridylmethyl)-3-pyrrolidin-1-yl-propan-1-amine N-(4-pyridylmethyl)-3-pyrrolidin…

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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) 0.91 5.23 -37.07 2 3 1 29 220.34 6 ↓
Mid Mid (pH 6-8) 0.91 6.65 -113.14 3 3 2 34 221.348 6 ↓
Mid Mid (pH 6-8) 0.91 4.12 -47.14 2 3 1 33 220.34 6 ↓

Analogs

37859807
37859807
37859808
37859808
37859809
37859809
37859810
37859810

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Popular Name: N-[(1R)-1-(4-pyridyl)ethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[(1R)-1-(4-pyridyl)ethyl]-3-py…

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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) 1.47 6.15 -37.82 2 3 1 29 234.367 6 ↓
Mid Mid (pH 6-8) 1.47 7.39 -113.09 3 3 2 34 235.375 6 ↓
Mid Mid (pH 6-8) 1.47 4.87 -45.5 2 3 1 33 234.367 6 ↓

Analogs

37859807
37859807
37859808
37859808
37859809
37859809
37859810
37859810

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-pyridyl)ethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[(1S)-1-(4-pyridyl)ethyl]-3-py…

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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) 1.47 6.11 -36.46 2 3 1 29 234.367 6 ↓
Mid Mid (pH 6-8) 1.47 7.4 -112.92 3 3 2 34 235.375 6 ↓
Mid Mid (pH 6-8) 1.47 4.87 -45.67 2 3 1 33 234.367 6 ↓

Analogs

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Popular Name: (2S)-2-methyl-N-(4-pyridylmethyl)-3-pyrrolidin-1-yl-propan-1-amine (2S)-2-methyl-N-(4-pyridylmethyl…

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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) 1.39 6.22 -35.82 2 3 1 29 234.367 6 ↓
Mid Mid (pH 6-8) 1.39 7.44 -109.69 3 3 2 34 235.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-N-(4-pyridylmethyl)-3-pyrrolidin-1-yl-propan-1-amine (2R)-2-methyl-N-(4-pyridylmethyl…

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) 1.39 6.06 -36.02 2 3 1 29 234.367 6 ↓
Mid Mid (pH 6-8) 1.39 7.41 -115.92 3 3 2 34 235.375 6 ↓

Parameters Provided:

ring.id = 25617
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 = 25617 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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