UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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) 0.37 1.66 -54.98 2 3 1 51 190.288 3 ↓

Analogs

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Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]cyclopropanamine N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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) 0.37 1.66 -55.34 2 3 1 51 190.288 3 ↓

Analogs

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Popular Name: (3R)-3-[(cyclopropylamino)methyl]-1,1-dioxo-thiolan-3-ol (3R)-3-[(cyclopropylamino)methyl…

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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) -0.58 -1.55 -50.74 3 4 1 71 206.287 3 ↓
Hi High (pH 8-9.5) -0.58 -2.7 -11.07 2 4 0 66 205.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(cyclopropylamino)methyl]-1,1-dioxo-thiolan-3-ol (3S)-3-[(cyclopropylamino)methyl…

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) -0.58 -1.44 -52.43 3 4 1 71 206.287 3 ↓
Hi High (pH 8-9.5) -0.58 -2.49 -11.7 2 4 0 66 205.279 3 ↓

Parameters Provided:

ring.id = 39255
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 = 39255 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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