UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11953192
11953192

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 3.01 2.77 -39.7 1 4 1 40 292.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2,3-difluorophenoxy)ethyl]piperidine 4-[2-(2,3-difluorophenoxy)ethyl]…

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) 2.89 6.47 -46.76 2 2 1 26 242.289 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(4-bromophenoxy)ethyl]piperidine-4-carboxylic 4-[2-(4-bromophenoxy)ethyl]piper…

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) 2.23 7 -61.87 2 4 0 66 328.206 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxylic 4-[2-(3-bromophenoxy)ethyl]piper…

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) 2.20 6.99 -63.78 2 4 0 66 328.206 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-(3,5-Difluorophenoxy)ethyl)piperidine 4-(2-(3,5-Difluorophenoxy)ethyl)…

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) 2.91 6.47 -41.09 2 2 1 26 242.289 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-phenoxyethyl)-4-piperidyl]methanol [4-(2-phenoxyethyl)-4-piperidyl]…

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) 1.54 3.29 -44.56 3 3 1 46 236.335 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[3-(methoxymethyl)phenoxy]ethyl]piperidine 4-[2-[3-(methoxymethyl)phenoxy]e…

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) 2.58 6.07 -42.5 2 3 1 35 250.362 6 ↓

Analogs

41434176
41434176

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2-ethoxyphenoxy)ethyl]piperidine-4-carboxylic 4-[2-(2-ethoxyphenoxy)ethyl]pipe…

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) 1.41 7.19 -65.19 2 5 0 75 293.363 7 ↓

Analogs

2899637
2899637
2901489
2901489

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2,4,6-trimethylphenoxy)ethyl]piperidine 4-[2-(2,4,6-trimethylphenoxy)eth…

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) 3.86 8.63 -39.99 2 2 1 26 248.39 4 ↓

Analogs

20593621
20593621

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2,3,6-trimethylphenoxy)ethyl]piperidine 4-[2-(2,3,6-trimethylphenoxy)eth…

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) 3.86 8.42 -40.13 2 2 1 26 248.39 4 ↓

Parameters Provided:

ring.id = 95998
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 = 95998 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=95998&filter.purchasability=annotated

Embed Link to Results