UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15449381
15449381
15449382
15449382

Draw Identity 99% 90% 80% 70%

Popular Name: Cefpodoxime proxetil Cefpodoxime proxetil

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) 0.58 7.44 -28.08 3 14 0 181 557.607 13 ↓
Hi High (pH 8-9.5) 0.77 5.68 -63.64 2 14 -1 187 556.599 13 ↓
Lo Low (pH 4.5-6) 0.58 8.82 -59.12 4 14 1 182 558.615 13 ↓

Analogs

3920566
3920566
3920562
3920562

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(E)-3-carbamoyloxyprop-1-en (6R,7S)-7-[[(2E)-2-(2-aminothiaz…

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) -0.94 -0.03 -72.81 5 13 -1 202 481.492 9 ↓

Analogs

34613935
34613935
34613938
34613938
34613942
34613942

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-methylsulfanyl-8-o (6R,7R)-7-[[(2E)-2-(2-aminothiaz…

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) -1.38 4.02 -113.67 3 12 -2 190 471.498 8 ↓

Analogs

34613935
34613935
34613938
34613938
34613942
34613942

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-methylsulfanyl-8-o (6S,7R)-7-[[(2E)-2-(2-aminothiaz…

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) -1.38 3.74 -111.7 3 12 -2 190 471.498 8 ↓

Parameters Provided:

ring.id = 234942
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 = 234942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=234942&filter.purchasability=annotated

Embed Link to Results