UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(3S)-1-methyl-3-piperidyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(3S)-1-methyl-3-piperidy…

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) 2.40 8.77 -87.82 3 3 2 30 277.437 3 ↓
Hi High (pH 8-9.5) 2.40 6.4 -26.9 2 3 1 29 276.429 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(3R)-1-methyl-3-piperidyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(3R)-1-methyl-3-piperidy…

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) 2.40 8.77 -87.66 3 3 2 30 277.437 3 ↓
Hi High (pH 8-9.5) 2.40 6.4 -26.92 2 3 1 29 276.429 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(3S)-1-ethyl-3-piperidyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(3S)-1-ethyl-3-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) 2.77 9.43 -87.82 3 3 2 30 291.464 4 ↓
Hi High (pH 8-9.5) 2.77 7.2 -26.92 2 3 1 29 290.456 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(3R)-1-ethyl-3-piperidyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(3R)-1-ethyl-3-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) 2.77 9.43 -87.65 3 3 2 30 291.464 4 ↓
Hi High (pH 8-9.5) 2.77 7.2 -26.94 2 3 1 29 290.456 4 ↓

Parameters Provided:

ring.id = 331046
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 = 331046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=331046&filter.purchasability=annotated

Embed Link to Results