UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: sisomicin sulfate sisomicin sulfate

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) -4.69 -9.69 -283.23 16 12 4 223 451.565 6 ↓
Hi High (pH 8-9.5) -4.69 -12.06 -7.08 12 12 0 214 447.533 6 ↓
Hi High (pH 8-9.5) -4.69 -11.7 -47.29 13 12 1 215 448.541 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: USAN) USAN)

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) -4.69 -10.66 -281 16 12 4 223 451.565 6 ↓
Hi High (pH 8-9.5) -4.69 -13.01 -7.5 12 12 0 214 447.533 6 ↓
Hi High (pH 8-9.5) -4.69 -12.64 -45.73 13 12 1 215 448.541 6 ↓

Parameters Provided:

ring.id = 169548
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 = 169548 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=169548&filter.purchasability=annotated

Embed Link to Results