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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]pyridazin-3-amine N-[(3R)-1,1-dioxothiolan-3-yl]py…

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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) -0.29 0.17 -17.44 1 5 0 72 213.262 2 ↓
Mid Mid (pH 6-8) -0.29 0.35 -45.74 2 5 1 73 214.27 2 ↓
Mid Mid (pH 6-8) -0.29 0.33 -47.17 2 5 1 73 214.27 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]pyridazin-3-amine N-[(3S)-1,1-dioxothiolan-3-yl]py…

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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) -0.29 0.17 -18.26 1 5 0 72 213.262 2 ↓
Mid Mid (pH 6-8) -0.29 0.34 -46.74 2 5 1 73 214.27 2 ↓
Mid Mid (pH 6-8) -0.29 0.33 -48.35 2 5 1 73 214.27 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-pyridazin-3-amine 6-chloro-N-[(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) 1.17 2.28 -17.62 0 5 0 63 261.734 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-pyridazin-3-amine 6-chloro-N-[(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) 1.17 2.3 -16.65 0 5 0 63 261.734 2 ↓

Parameters Provided:

ring.id = 23612
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 = 23612 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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