UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36755232
36755232
15675243
15675243
29485870
29485870
29485867
29485867

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(2S)-2-methylpiperidine-1-carbonyl]BLAHone methyl-[(2S)-2-methylpiperidine-…

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) 3.30 9.31 -14.09 0 5 0 55 359.495 1 ↓

Analogs

36755230
36755230
15675243
15675243

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(2R)-2-methylpiperidine-1-carbonyl]BLAHone methyl-[(2R)-2-methylpiperidine-…

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) 3.30 9.33 -14.2 0 5 0 55 359.495 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]BLAHone methyl-[(3R)-3-(trifluoromethyl)…

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) 3.76 9.64 -15.34 0 5 0 55 413.465 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]BLAHone methyl-[(3S)-3-(trifluoromethyl)…

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) 3.76 9.65 -15.32 0 5 0 55 413.465 2 ↓

Parameters Provided:

ring.id = 110993
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 = 110993 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=110993&filter.purchasability=annotated

Embed Link to Results