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Analogs

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Popular Name: (5S)-4-amino-3-[(1R)-1-(4-isobutylphenyl)ethyl]-1,5-dihydro-1,2,4-triazole-5-thiol (5S)-4-amino-3-[(1R)-1-(4-isobut…

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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) 3.46 6.7 -5.42 3 4 0 54 278.425 4 ↓
Mid Mid (pH 6-8) 3.46 7.24 -45.38 3 4 -1 54 277.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-4-amino-3-[(1S)-1-(4-isobutylphenyl)ethyl]-1,5-dihydro-1,2,4-triazole-5-thiol (5S)-4-amino-3-[(1S)-1-(4-isobut…

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) 3.46 6.7 -5.59 3 4 0 54 278.425 4 ↓
Mid Mid (pH 6-8) 3.46 7.24 -45.45 3 4 -1 54 277.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-4-amino-3-[(1R)-1-(4-isobutylphenyl)ethyl]-1,5-dihydro-1,2,4-triazole-5-thiol (5R)-4-amino-3-[(1R)-1-(4-isobut…

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) 3.46 6.72 -4.61 3 4 0 54 278.425 4 ↓
Mid Mid (pH 6-8) 3.46 7.26 -42.39 3 4 -1 54 277.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-4-amino-3-[(1S)-1-(4-isobutylphenyl)ethyl]-1,5-dihydro-1,2,4-triazole-5-thiol (5R)-4-amino-3-[(1S)-1-(4-isobut…

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) 3.46 6.72 -4.55 3 4 0 54 278.425 4 ↓
Mid Mid (pH 6-8) 3.46 7.26 -42.9 3 4 -1 54 277.417 4 ↓

Parameters Provided:

ring.id = 578267
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 = 578267 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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