UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-piperidyl)-N-(4-pyridylmethyl)propan-1-amine 3-(1-piperidyl)-N-(4-pyridylmeth…

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) 1.42 6.09 -36.88 2 3 1 29 234.367 6 ↓
Mid Mid (pH 6-8) 1.42 7.5 -114.66 3 3 2 34 235.375 6 ↓
Mid Mid (pH 6-8) 1.42 5.22 -47.39 2 3 1 33 234.367 6 ↓

Analogs

37859807
37859807
37859808
37859808
37859809
37859809
37859810
37859810

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-piperidyl)-N-[(1R)-1-(4-pyridyl)ethyl]propan-1-amine 3-(1-piperidyl)-N-[(1R)-1-(4-pyr…

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) 1.98 6.99 -37.59 2 3 1 29 248.394 6 ↓
Mid Mid (pH 6-8) 1.98 8.24 -114.49 3 3 2 34 249.402 6 ↓
Mid Mid (pH 6-8) 1.98 5.96 -45.85 2 3 1 33 248.394 6 ↓

Analogs

37859807
37859807
37859808
37859808
37859809
37859809
37859810
37859810

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-piperidyl)-N-[(1S)-1-(4-pyridyl)ethyl]propan-1-amine 3-(1-piperidyl)-N-[(1S)-1-(4-pyr…

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) 1.98 6.96 -36.36 2 3 1 29 248.394 6 ↓
Mid Mid (pH 6-8) 1.98 8.25 -114.53 3 3 2 34 249.402 6 ↓
Mid Mid (pH 6-8) 1.98 5.97 -45.7 2 3 1 33 248.394 6 ↓

Parameters Provided:

ring.id = 25511
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 = 25511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=25511&filter.purchasability=annotated

Embed Link to Results