UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22048217
22048217

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Popular Name: (4-methoxyphenyl)methyl (4-methoxyphenyl)methyl

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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) 1.23 5.67 -16.16 2 6 0 82 354.815 5 ↓
Mid Mid (pH 6-8) 1.23 5.97 -57.93 3 6 1 83 355.823 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxyphenyl)methyl (4-methoxyphenyl)methyl

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) 1.23 5.48 -15.29 2 6 0 82 354.815 5 ↓
Mid Mid (pH 6-8) 1.23 5.78 -60.35 3 6 1 83 355.823 5 ↓

Analogs

22048217
22048217

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxyphenyl)methyl (4-methoxyphenyl)methyl

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) 1.23 5.47 -13.79 2 6 0 82 354.815 5 ↓
Mid Mid (pH 6-8) 1.23 5.79 -60.58 3 6 1 83 355.823 5 ↓

Analogs

22048217
22048217

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxyphenyl)methyl (4-methoxyphenyl)methyl

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) 1.23 5.65 -14.49 2 6 0 82 354.815 5 ↓
Mid Mid (pH 6-8) 1.23 5.96 -57.99 3 6 1 83 355.823 5 ↓

Analogs

22048217
22048217

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Popular Name: 7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester hydrochloride 7-Amino-3-chloromethyl-3-cephem-…

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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) 1.43 5.75 -17.11 2 6 0 82 368.842 6 ↓
Mid Mid (pH 6-8) 1.43 6.05 -57.37 3 6 1 83 369.85 6 ↓

Analogs

22048217
22048217

Draw Identity 99% 90% 80% 70%

Popular Name: 7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester hydrochloride 7-Amino-3-chloromethyl-3-cephem-…

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) 1.43 5.88 -61.92 3 6 1 83 369.85 6 ↓
Mid Mid (pH 6-8) 1.43 5.56 -14.51 2 6 0 82 368.842 6 ↓

Parameters Provided:

ring.id = 13861
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 = 13861 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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