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

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Popular Name: (4S)-4-benzyl-3-(cycloheptylmethyl)-1-[(1S)-1-[[(2S)-2-[[(5S)-5-isobutyl-2-thioxo-imidazolidin-1-yl] (4S)-4-benzyl-3-(cycloheptylmeth…

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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) 8.70 22.47 -36.87 2 5 1 26 627.045 13 ↓
Hi High (pH 8-9.5) 8.70 20.9 -12.95 1 5 0 25 626.037 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-benzyl-3-(cycloheptylmethyl)-1-[(1S)-1-[[(2R)-2-[[(5S)-5-isobutyl-2-thioxo-imidazolidin-1-yl] (4S)-4-benzyl-3-(cycloheptylmeth…

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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) 8.70 21.64 -57.12 2 5 1 26 627.045 13 ↓
Hi High (pH 8-9.5) 8.70 19.12 -22.87 1 5 0 25 626.037 13 ↓

Analogs

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Popular Name: (4S)-3-(cycloheptylmethyl)-4-[(4-hydroxyphenyl)methyl]-1-[(1S)-1-[[(2S)-2-[[(5S)-5-isobutyl-2-thioxo (4S)-3-(cycloheptylmethyl)-4-[(4…

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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) 8.42 19.62 -39.79 3 6 1 46 643.044 13 ↓
Hi High (pH 8-9.5) 8.42 18.05 -14.79 2 6 0 45 642.036 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(cycloheptylmethyl)-4-[(4-hydroxyphenyl)methyl]-1-[(1S)-1-[[(2R)-2-[[(5S)-5-isobutyl-2-thioxo (4S)-3-(cycloheptylmethyl)-4-[(4…

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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) 8.42 18.78 -61.08 3 6 1 46 643.044 13 ↓
Hi High (pH 8-9.5) 8.42 16.27 -25.44 2 6 0 45 642.036 13 ↓

Parameters Provided:

ring.id = 471429
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 = 471429 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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