UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(2R)-tetrahydrothiophen-2-yl]-4H-1,2,4-triazol-3-amine 5-[(2R)-tetrahydrothiophen-2-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) 0.18 4.2 -9.16 3 4 0 68 170.241 1 ↓
Lo Low (pH 4.5-6) 0.18 4.64 -32.77 4 4 1 69 171.249 1 ↓

Analogs

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Popular Name: 5-[(2S)-tetrahydrothiophen-2-yl]-4H-1,2,4-triazol-3-amine 5-[(2S)-tetrahydrothiophen-2-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) 0.18 4.2 -9.1 3 4 0 68 170.241 1 ↓
Lo Low (pH 4.5-6) 0.18 4.78 -27.9 4 4 1 69 171.249 1 ↓

Analogs

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Popular Name: 2-[[5-[(2R)-tetrahydrothiophen-2-yl]-4H-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2R)-tetrahydrothiophen-2…

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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) 0.55 5.64 -42.25 1 5 -1 82 244.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2S)-tetrahydrothiophen-2-yl]-4H-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2S)-tetrahydrothiophen-2…

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) 0.55 5.64 -42.34 1 5 -1 82 244.321 4 ↓

Parameters Provided:

ring.id = 511010
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 = 511010 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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