UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4169318
4169318
4169319
4169319
4169326
4169326
4169328
4169328
4169329
4169329

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl-(1-piperidylcarbonylmethyl)BLAHone phenyl-(1-piperidylcarbonylmethy…

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) 2.76 -2.68 -15.95 0 5 0 52 407.539 3 ↓

Analogs

12833972
12833972
4169317
4169317

Draw Identity 99% 90% 80% 70%

Popular Name: m-tolyl-(1-piperidylcarbonylmethyl)BLAHone m-tolyl-(1-piperidylcarbonylmeth…

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) 3.19 -2.36 -16.03 0 5 0 52 421.566 3 ↓

Analogs

4169326
4169326
4169317
4169317

Draw Identity 99% 90% 80% 70%

Popular Name: 1-piperidylcarbonylmethyl-(p-tolyl)BLAHone 1-piperidylcarbonylmethyl-(p-tol…

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) 3.21 -2.36 -15.81 0 5 0 52 421.566 3 ↓

Analogs

4169327
4169327
6075380
6075380
6924879
6924879
12701240
12701240
12833972
12833972

Draw Identity 99% 90% 80% 70%

Popular Name: m-tolyl-(pyrrolidin-1-ylcarbonylmethyl)BLAHone m-tolyl-(pyrrolidin-1-ylcarbonyl…

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) 2.68 -2.57 -16.92 0 5 0 52 407.539 3 ↓

Analogs

4212631
4212631
4212634
4212634
6547554
6547554
6547731
6547731
6906216
6906216

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 2.42 -0.66 -13.38 0 6 0 68 384.457 5 ↓

Parameters Provided:

ring.id = 246830
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 = 246830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=246830&filter.purchasability=annotated

Embed Link to Results