UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: PANCURONIUM BROMIDE PANCURONIUM BROMIDE

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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) -1.62 20.35 -86.98 0 6 2 53 572.875 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: PANCURONIUM BROMIDE PANCURONIUM BROMIDE

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) -1.62 20.09 -74.48 0 6 2 53 572.875 6 ↓

Analogs

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Popular Name: VECURONIUM BROMIDE VECURONIUM BROMIDE

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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) 2.35 19.01 -89.07 1 6 2 57 558.848 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: VECURONIUM BROMIDE VECURONIUM BROMIDE

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) 2.35 19.14 -77.63 1 6 2 57 558.848 6 ↓

Analogs

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Popular Name: [(2S,3S,5S,8S,9R,10R,13R,14S,16S,17R)-17-acetoxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-y [(2S,3S,5S,8S,9R,10R,13R,14S,16S…

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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) -1.62 17.58 -96.29 0 6 2 53 572.875 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S,5S,8R,9R,10S,13R,14S,16S,17R)-17-acetoxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-y [(2S,3S,5S,8R,9R,10S,13R,14S,16S…

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) -1.62 19.01 -93.38 0 6 2 53 572.875 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S,5S,8S,9R,10S,13R,14S,16S,17R)-17-acetoxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-y [(2S,3S,5S,8S,9R,10S,13R,14S,16S…

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) -1.62 19.61 -89.98 0 6 2 53 572.875 6 ↓

Parameters Provided:

ring.id = 213352
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 = 213352 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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