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Analogs

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Popular Name: (4S)-1-allyl-4-(2,4-dimethylphenyl)-6-[(1R)-2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenyl-ethyl]-4,7-dihy (4S)-1-allyl-4-(2,4-dimethylphen…

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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) 4.44 12.29 -24.68 1 8 0 76 527.669 7 ↓
Mid Mid (pH 6-8) 4.44 14.51 -65.57 2 8 1 77 528.677 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-allyl-4-(2,4-dimethylphenyl)-6-[(1S)-2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenyl-ethyl]-4,7-dihy (4S)-1-allyl-4-(2,4-dimethylphen…

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) 4.44 12.1 -24.81 1 8 0 76 527.669 7 ↓
Mid Mid (pH 6-8) 4.44 14.34 -58.83 2 8 1 77 528.677 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-allyl-4-(2,4-dimethylphenyl)-6-[(1R)-2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenyl-ethyl]-4,7-dihy (4R)-1-allyl-4-(2,4-dimethylphen…

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) 4.44 12.4 -24.61 1 8 0 76 527.669 7 ↓
Mid Mid (pH 6-8) 4.44 14.6 -65.15 2 8 1 77 528.677 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-allyl-4-(2,4-dimethylphenyl)-6-[(1S)-2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenyl-ethyl]-4,7-dihy (4R)-1-allyl-4-(2,4-dimethylphen…

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) 4.44 12.2 -24.85 1 8 0 76 527.669 7 ↓
Mid Mid (pH 6-8) 4.44 14.42 -59.37 2 8 1 77 528.677 7 ↓

Parameters Provided:

ring.id = 20561
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 = 20561 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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