UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-ethyl-5-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]-1,2,4-triazole-3-thiol 4-ethyl-5-[methyl-[(3R)-tetrahyd…

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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) 0.89 8.93 -11.11 1 4 0 37 244.389 3 ↓

Analogs

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Popular Name: 4-ethyl-5-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]-1,2,4-triazole-3-thiol 4-ethyl-5-[methyl-[(3S)-tetrahyd…

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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) 0.89 9.04 -11.39 1 4 0 37 244.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-5-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]-1,2,4-triazole-3-thiol 4-methyl-5-[methyl-[(3R)-tetrahy…

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) 0.51 8.27 -11.43 1 4 0 37 230.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-5-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]-1,2,4-triazole-3-thiol 4-methyl-5-[methyl-[(3S)-tetrahy…

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) 0.51 8.23 -11.56 1 4 0 37 230.362 2 ↓

Analogs

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Popular Name: 4-isopropyl-5-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]-1,2,4-triazole-3-thiol 4-isopropyl-5-[methyl-[(3R)-tetr…

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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) 1.25 9.07 -9.91 1 4 0 37 258.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-5-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]-1,2,4-triazole-3-thiol 4-isopropyl-5-[methyl-[(3S)-tetr…

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) 1.25 9.38 -10.61 1 4 0 37 258.416 3 ↓

Parameters Provided:

ring.id = 114293
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 = 114293 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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