UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-4-[(3R)-tetrahydropyran-3-yl]pyrrolidine-3-carboxylic (3R,4S)-4-[(3R)-tetrahydropyran-…

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) 0.70 3.22 -55.13 2 4 0 66 199.25 2 ↓
Hi High (pH 8-9.5) 0.70 1.77 -44.63 1 4 -1 61 198.242 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-4-[(3S)-tetrahydropyran-3-yl]pyrrolidine-3-carboxylic (3R,4S)-4-[(3S)-tetrahydropyran-…

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) 0.70 3.22 -57.93 2 4 0 66 199.25 2 ↓
Hi High (pH 8-9.5) 0.70 1.76 -46.5 1 4 -1 61 198.242 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-[(3R)-tetrahydropyran-3-yl]pyrrolidine-3-carboxylic (3R,4R)-4-[(3R)-tetrahydropyran-…

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) 0.70 3.39 -55.16 2 4 0 66 199.25 2 ↓
Hi High (pH 8-9.5) 0.70 1.94 -44.7 1 4 -1 61 198.242 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-[(3S)-tetrahydropyran-3-yl]pyrrolidine-3-carboxylic (3R,4R)-4-[(3S)-tetrahydropyran-…

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) 0.70 3.38 -53.37 2 4 0 66 199.25 2 ↓
Hi High (pH 8-9.5) 0.70 1.94 -43.94 1 4 -1 61 198.242 2 ↓

Parameters Provided:

ring.id = 260720
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 = 260720 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=260720&filter.purchasability=annotated

Embed Link to Results