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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: 2-[(4S)-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[[(3R)-1,1-dioxothiola…

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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) -1.14 -1.13 -61.67 3 6 1 89 300.404 4 ↓
Mid Mid (pH 6-8) -1.14 -1.5 -15.58 2 6 0 84 299.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-[[(3R)-1,1-dioxothiola…

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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) -1.14 -0.28 -62.5 3 6 1 89 300.404 4 ↓
Mid Mid (pH 6-8) -1.14 -1.23 -15.75 2 6 0 84 299.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-[[(3S)-1,1-dioxothiolan-3-yl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[[(3S)-1,1-dioxothiola…

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) -1.14 -0.28 -63.09 3 6 1 89 300.404 4 ↓
Mid Mid (pH 6-8) -1.14 -1.27 -16.4 2 6 0 84 299.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-[[(3S)-1,1-dioxothiolan-3-yl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-[[(3S)-1,1-dioxothiola…

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) -1.14 -1.12 -61.92 3 6 1 89 300.404 4 ↓
Mid Mid (pH 6-8) -1.14 -1.44 -17.33 2 6 0 84 299.396 4 ↓

Parameters Provided:

ring.id = 321010
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 = 321010 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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