UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-tetrahydrothiophen-3-yl]-3H-imidazo[4,5-c]pyridine 2-[(3S)-tetrahydrothiophen-3-yl]…

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) 1.07 3.77 -35.53 0 3 -1 40 204.278 1 ↓
Mid Mid (pH 6-8) 1.07 4.38 -7.49 1 3 0 42 205.286 1 ↓
Lo Low (pH 4.5-6) 1.07 5.23 -100.34 3 3 2 44 207.302 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-tetrahydrothiophen-3-yl]-3H-imidazo[4,5-c]pyridine 2-[(3R)-tetrahydrothiophen-3-yl]…

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) 1.07 3.87 -34.26 0 3 -1 40 204.278 1 ↓
Mid Mid (pH 6-8) 1.07 4.44 -7.69 1 3 0 42 205.286 1 ↓
Lo Low (pH 4.5-6) 1.07 5.29 -102 3 3 2 44 207.302 1 ↓

Parameters Provided:

ring.id = 512292
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 = 512292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=512292&filter.purchasability=annotated

Embed Link to Results