UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-oxo-4-phenyl-butoxy)-N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]benzamide 4-(4-oxo-4-phenyl-butoxy)-N-[4-o…

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) 4.42 8.07 -41.89 3 10 1 142 496.503 8 ↓
Hi High (pH 8-9.5) 4.42 8.84 -22.26 2 10 0 144 495.495 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S)-4-hydroxy-4-(4-hydroxyphenyl)butoxy]-N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]benzamide 4-[(4S)-4-hydroxy-4-(4-hydroxyph…

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) 3.60 3.09 -39.54 5 11 1 165 514.518 8 ↓
Hi High (pH 8-9.5) 3.60 3.86 -19.86 4 11 0 168 513.51 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R)-4-hydroxy-4-(4-hydroxyphenyl)butoxy]-N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]benzamide 4-[(4R)-4-hydroxy-4-(4-hydroxyph…

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) 3.60 3.05 -39.85 5 11 1 165 514.518 8 ↓
Hi High (pH 8-9.5) 3.60 3.82 -20.13 4 11 0 168 513.51 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-ethyltetrazol-5-yl)phenol 4-(2-ethyltetrazol-5-yl)phenol

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) 1.13 3.94 -64.34 2 5 1 65 191.214 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-(2-propyltetrazol-5-yl)phenol 2-amino-4-(2-propyltetrazol-5-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) 1.05 2.63 -54.43 4 6 1 91 220.256 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methyl-3-(2H-tetrazol-5-yl)i 4-[4-[(2-ethyl-5,7-dimethyl-imid…

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) 5.25 12.79 -18.5 1 9 0 112 490.571 4 ↓

Parameters Provided:

ring.id = 14550
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 = 14550 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=14550&filter.purchasability=annotated

Embed Link to Results