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Analogs

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Popular Name: (6R)-N-[(1-butyltetrazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ami (6R)-N-[(1-butyltetrazol-5-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) 0.63 6.37 -66.55 2 8 1 91 305.41 7 ↓
Mid Mid (pH 6-8) 0.63 5.2 -15.82 1 8 0 86 304.402 7 ↓

Analogs

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Popular Name: (6S)-N-[(1-butyltetrazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ami (6S)-N-[(1-butyltetrazol-5-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) 0.63 6.36 -69.21 2 8 1 91 305.41 7 ↓
Mid Mid (pH 6-8) 0.63 5.18 -18.58 1 8 0 86 304.402 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(1-butyltetrazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-am (6R)-N-[(1-butyltetrazol-5-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) 0.06 5.76 -66.84 2 8 1 91 291.383 6 ↓
Mid Mid (pH 6-8) 0.06 4.6 -16.1 1 8 0 86 290.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(1-butyltetrazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-am (6S)-N-[(1-butyltetrazol-5-yl)me…

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) 0.06 5.75 -69.47 2 8 1 91 291.383 6 ↓
Mid Mid (pH 6-8) 0.06 4.57 -18.82 1 8 0 86 290.375 6 ↓

Parameters Provided:

ring.id = 469931
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 = 469931 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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