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

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Popular Name: 2-[[(3R)-1,1-dioxothian-3-yl]-methyl-amino]-1-piperazin-1-yl-ethanone 2-[[(3R)-1,1-dioxothian-3-yl]-me…

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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) -1.22 0.5 -51.33 2 6 1 71 290.409 3 ↓
Hi High (pH 8-9.5) -1.22 -1.89 -17.62 1 6 0 70 289.401 3 ↓
Mid Mid (pH 6-8) -1.22 -0.59 -60.73 2 6 1 74 290.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1,1-dioxothian-3-yl]-methyl-amino]-1-piperazin-1-yl-ethanone 2-[[(3S)-1,1-dioxothian-3-yl]-me…

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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) -1.22 0.53 -53.3 2 6 1 71 290.409 3 ↓
Hi High (pH 8-9.5) -1.22 -1.7 -15.83 1 6 0 70 289.401 3 ↓
Mid Mid (pH 6-8) -1.22 -0.39 -56.67 2 6 1 74 290.409 3 ↓

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothian-3-yl]amino]-1-(4-methylpiperazin-1-yl)ethanone 2-[[(3R)-1,1-dioxothian-3-yl]ami…

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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) -0.87 2.17 -118.05 3 6 2 75 291.417 3 ↓
Hi High (pH 8-9.5) -0.87 -1.37 -15.91 1 6 0 70 289.401 3 ↓
Mid Mid (pH 6-8) -0.87 0.98 -53 2 6 1 71 290.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1,1-dioxothian-3-yl]amino]-1-(4-methylpiperazin-1-yl)ethanone 2-[[(3S)-1,1-dioxothian-3-yl]ami…

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) -0.87 2.18 -118.06 3 6 2 75 291.417 3 ↓
Hi High (pH 8-9.5) -0.87 -1.37 -16.89 1 6 0 70 289.401 3 ↓
Mid Mid (pH 6-8) -0.87 0.98 -53.77 2 6 1 71 290.409 3 ↓

Parameters Provided:

ring.id = 288264
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 = 288264 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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