UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41690911
41690911
41690913
41690913
41690915
41690915

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(pyrrolidine-1-carbonyl)-N-[4-[[(2S)-tetrahydrofuran-2-carbonyl]amino]phenyl]piperidine-3-car (3R)-1-(pyrrolidine-1-carbonyl)-…

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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) 1.77 7.01 -23.55 2 8 0 91 414.506 4 ↓

Analogs

41690913
41690913
41690915
41690915
41690909
41690909

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(pyrrolidine-1-carbonyl)-N-[4-[[(2S)-tetrahydrofuran-2-carbonyl]amino]phenyl]piperidine-3-car (3S)-1-(pyrrolidine-1-carbonyl)-…

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) 1.77 7.02 -27.11 2 8 0 91 414.506 4 ↓

Analogs

41690915
41690915
41690909
41690909
41690911
41690911

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(pyrrolidine-1-carbonyl)-N-[4-[[(2R)-tetrahydrofuran-2-carbonyl]amino]phenyl]piperidine-3-car (3R)-1-(pyrrolidine-1-carbonyl)-…

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) 1.77 7 -20.58 2 8 0 91 414.506 4 ↓

Analogs

41690909
41690909
41690911
41690911

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(pyrrolidine-1-carbonyl)-N-[4-[[(2R)-tetrahydrofuran-2-carbonyl]amino]phenyl]piperidine-3-car (3S)-1-(pyrrolidine-1-carbonyl)-…

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) 1.77 7.01 -21.3 2 8 0 91 414.506 4 ↓

Parameters Provided:

ring.id = 569886
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 = 569886 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=569886&filter.purchasability=annotated

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