UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: alpha-lipomycin alpha-lipomycin

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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) 1.49 10.98 -119.07 2 10 -2 159 585.694 13 ↓
Mid Mid (pH 6-8) 0.91 10.66 -99.48 2 10 0 154 586.702 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: alpha-lipomycin alpha-lipomycin

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) 1.49 11.19 -118.44 2 10 -2 159 585.694 13 ↓
Mid Mid (pH 6-8) 0.91 10.9 -94.82 2 10 0 154 586.702 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: alpha-lipomycin alpha-lipomycin

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) 1.49 11.44 -118.55 2 10 -2 159 585.694 13 ↓
Mid Mid (pH 6-8) 0.91 11.11 -100.83 2 10 0 154 586.702 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: alpha-lipomycin alpha-lipomycin

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) 1.49 11.38 -118.22 2 10 -2 159 585.694 13 ↓
Mid Mid (pH 6-8) 0.91 10.97 -99.05 2 10 0 154 586.702 14 ↓

Parameters Provided:

ring.id = 169756
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 = 169756 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=169756&filter.purchasability=annotated

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