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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'-(3-furylmethyl)-N-methyl-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) -0.01 0.52 -55.59 2 5 1 67 273.378 6 ↓
Hi High (pH 8-9.5) -0.01 -0.85 -12.51 1 5 0 63 272.37 6 ↓
Lo Low (pH 4.5-6) -0.01 2.99 -142.54 3 5 2 68 274.386 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N'-(3-furylmethyl)-N-methyl-ethane-1,2-diamine N-[(3S)-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) -0.01 0.76 -55.72 2 5 1 67 273.378 6 ↓
Hi High (pH 8-9.5) -0.01 -0.59 -12.82 1 5 0 63 272.37 6 ↓
Lo Low (pH 4.5-6) -0.01 3.01 -144.39 3 5 2 68 274.386 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-(3-furylmethyl)-N-methyl-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) -0.01 -0.59 -12.53 1 5 0 63 272.37 6 ↓
Mid Mid (pH 6-8) -0.01 1.74 -51.09 2 5 1 64 273.378 6 ↓
Lo Low (pH 4.5-6) -0.01 2.9 -146.29 3 5 2 68 274.386 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-furylmethyl)-N-methyl-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) -0.01 -0.54 -13.16 1 5 0 63 272.37 6 ↓
Mid Mid (pH 6-8) -0.01 1.78 -52.32 2 5 1 64 273.378 6 ↓
Lo Low (pH 4.5-6) -0.01 2.93 -146.42 3 5 2 68 274.386 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(2-methyl-3-furyl)methyl]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) 0.21 0.34 -13.05 1 5 0 63 286.397 6 ↓
Mid Mid (pH 6-8) 0.21 2.63 -51.76 2 5 1 64 287.405 6 ↓
Lo Low (pH 4.5-6) 0.21 1.53 -63.63 2 5 1 67 287.405 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(2-methyl-3-furyl)methyl]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) 0.21 0.38 -13.67 1 5 0 63 286.397 6 ↓
Mid Mid (pH 6-8) 0.21 2.66 -53.08 2 5 1 64 287.405 6 ↓
Lo Low (pH 4.5-6) 0.21 1.52 -63.62 2 5 1 67 287.405 6 ↓

Parameters Provided:

ring.id = 55332
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 = 55332 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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