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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: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-(2-pyridylmethyl)ethane-1,2-diamine N'-[(3R)-1,1-dioxothiolan-3-yl]-…

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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) -0.12 1.93 -50 2 5 1 63 284.405 6 ↓
Hi High (pH 8-9.5) -0.12 -0.41 -13.95 1 5 0 62 283.397 6 ↓
Mid Mid (pH 6-8) -0.12 3.09 -144.92 3 5 2 68 285.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N-(2-pyridylmethyl)ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-yl]-…

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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) -0.12 1.95 -50.78 2 5 1 63 284.405 6 ↓
Hi High (pH 8-9.5) -0.12 -0.38 -14.05 1 5 0 62 283.397 6 ↓
Mid Mid (pH 6-8) -0.12 3.09 -144.81 3 5 2 68 285.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N'-(2-pyridylmethyl)ethane-1,2-diamine N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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) -0.12 0.73 -54.55 2 5 1 67 284.405 6 ↓
Hi High (pH 8-9.5) -0.12 -0.65 -13.24 1 5 0 62 283.397 6 ↓
Lo Low (pH 4.5-6) -0.12 3.21 -141.56 3 5 2 68 285.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N'-(2-pyridylmethyl)ethane-1,2-diamine N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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) -0.12 0.97 -54.42 2 5 1 67 284.405 6 ↓
Hi High (pH 8-9.5) -0.12 -0.39 -13.36 1 5 0 62 283.397 6 ↓
Lo Low (pH 4.5-6) -0.12 3.24 -143.29 3 5 2 68 285.413 6 ↓

Parameters Provided:

ring.id = 54822
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 = 54822 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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