UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-2-[(1R,3Z,7R,10R)-7-[(4-fluorophenyl)methyl]-8,13-dioxo-10-phenyl- N-[(1S)-1-benzyl-2-hydroxy-ethyl…

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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) 5.54 13.57 -15.85 3 7 0 105 586.704 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-2-[(1R,3Z,7R,10S)-7-[(4-fluorophenyl)methyl]-8,13-dioxo-10-phenyl- N-[(1S)-1-benzyl-2-hydroxy-ethyl…

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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) 5.54 13.38 -14.46 3 7 0 105 586.704 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-2-[(1R,3Z,7S,10R)-7-[(4-fluorophenyl)methyl]-8,13-dioxo-10-phenyl- N-[(1S)-1-benzyl-2-hydroxy-ethyl…

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) 5.54 13.9 -17.76 3 7 0 105 586.704 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-hydroxy-ethyl]-2-[(1R,3Z,7R,10S)-7-[(4-fluorophenyl)methyl]-8,13-dioxo-10-phenyl- N-[(1R)-1-benzyl-2-hydroxy-ethyl…

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) 5.54 13.96 -15.66 3 7 0 105 586.704 9 ↓

Parameters Provided:

ring.id = 471729
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 = 471729 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=471729&filter.purchasability=annotated

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