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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(2S)-2-[(2R,5R)-5-benzyl-2-(cyclohexylmethyl)-3,6-dioxo-piperazin-1-yl]-2-(4-phenoxyphenyl)acety 6-[[(2S)-2-[(2R,5R)-5-benzyl-2-(…

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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) 6.39 16.83 -53.06 2 9 -1 128 638.785 15 ↓
Lo Low (pH 4.5-6) 6.39 14.86 -17.13 3 9 0 125 639.793 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(2S)-2-[(2R,5S)-5-benzyl-2-(cyclohexylmethyl)-3,6-dioxo-piperazin-1-yl]-2-(4-phenoxyphenyl)acety 6-[[(2S)-2-[(2R,5S)-5-benzyl-2-(…

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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) 6.39 18.01 -56.07 2 9 -1 128 638.785 15 ↓
Lo Low (pH 4.5-6) 6.39 16.03 -19.5 3 9 0 125 639.793 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(2S)-2-[(2S,5R)-5-benzyl-2-(cyclohexylmethyl)-3,6-dioxo-piperazin-1-yl]-2-(4-phenoxyphenyl)acety 6-[[(2S)-2-[(2S,5R)-5-benzyl-2-(…

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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) 6.39 16.49 -52.45 2 9 -1 128 638.785 15 ↓
Lo Low (pH 4.5-6) 6.39 14.52 -15.25 3 9 0 125 639.793 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(2S)-2-[(2S,5S)-5-benzyl-2-(cyclohexylmethyl)-3,6-dioxo-piperazin-1-yl]-2-(4-phenoxyphenyl)acety 6-[[(2S)-2-[(2S,5S)-5-benzyl-2-(…

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) 6.39 18.41 -55.63 2 9 -1 128 638.785 15 ↓
Lo Low (pH 4.5-6) 6.39 16.43 -17.84 3 9 0 125 639.793 15 ↓

Parameters Provided:

ring.id = 197941
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 = 197941 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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