UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34967185
34967185
34967186
34967186
34967187
34967187

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[(1Z,5E,7Z,11S)-11-methoxy-8-methyl-tetradeca-1,5,7,13-tetraenyl]-2-[(1S,2R)-2-methylcyclopro (4R)-4-[(1Z,5E,7Z,11S)-11-methox…

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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) 6.64 13.09 -4.66 0 2 0 22 373.606 12 ↓

Analogs

34967185
34967185
34967186
34967186
34967187
34967187

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[(1Z,5E,7Z,11S)-11-methoxy-8-methyl-tetradeca-1,5,7,13-tetraenyl]-2-[(1S,2S)-2-methylcyclopro (4R)-4-[(1Z,5E,7Z,11S)-11-methox…

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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) 6.64 13.1 -4.6 0 2 0 22 373.606 12 ↓

Analogs

34967185
34967185
34967186
34967186
34967187
34967187

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[(1Z,5E,7Z,11S)-11-methoxy-8-methyl-tetradeca-1,5,7,13-tetraenyl]-2-[(1R,2R)-2-methylcyclopro (4R)-4-[(1Z,5E,7Z,11S)-11-methox…

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) 6.64 13.1 -4.62 0 2 0 22 373.606 12 ↓

Analogs

34967185
34967185
34967186
34967186
34967187
34967187

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[(1Z,5E,7Z,11S)-11-methoxy-8-methyl-tetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopro (4R)-4-[(1Z,5E,7Z,11S)-11-methox…

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) 6.64 13.02 -4.7 0 2 0 22 373.606 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[(1Z,5E,7E,11S)-11-methoxytetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-d (4R)-4-[(1Z,5E,7E,11S)-11-methox…

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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) 6.33 12.51 -4.75 0 2 0 22 359.579 12 ↓

Parameters Provided:

ring.id = 138585
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 = 138585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=138585&filter.purchasability=annotated

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