UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-N-[(1-methyltriazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1-methyltriazol-4-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) -0.83 -0.45 -64.3 2 6 1 81 231.301 3 ↓
Mid Mid (pH 6-8) -0.83 -1.63 -19.15 1 6 0 77 230.293 3 ↓

Analogs

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Popular Name: (3S)-N-[(1-methyltriazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(1-methyltriazol-4-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) -0.83 -0.43 -65.08 2 6 1 81 231.301 3 ↓
Mid Mid (pH 6-8) -0.83 -1.58 -21.35 1 6 0 77 230.293 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3S)-3-methyl-N-[(1-methyltriazo…

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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) -0.38 -0.02 -62.21 2 6 1 81 245.328 3 ↓
Mid Mid (pH 6-8) -0.38 -1.21 -18.28 1 6 0 77 244.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3R)-3-methyl-N-[(1-methyltriazo…

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) -0.38 -0.01 -60.51 2 6 1 81 245.328 3 ↓
Mid Mid (pH 6-8) -0.38 -1.17 -18.96 1 6 0 77 244.32 3 ↓

Parameters Provided:

ring.id = 157198
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 = 157198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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