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Analogs

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Popular Name: (2-methylsulfanyl-3-pyridyl)-(3-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)m (2-methylsulfanyl-3-pyridyl)-(3-…

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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 -0.56 -16.33 0 6 0 64 303.391 2 ↓

Analogs

11973183
11973183

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Popular Name: N-[(1S)-2-methyl-1-[7-(6-methylpyridine-3-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]di N-[(1S)-2-methyl-1-[7-(6-methylp…

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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 -1.4 -13.17 1 8 0 93 384.484 5 ↓

Analogs

11973178
11973178

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Popular Name: N-[(1R)-2-methyl-1-[7-(6-methylpyridine-3-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]di N-[(1R)-2-methyl-1-[7-(6-methylp…

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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 -1.31 -13.23 1 8 0 93 384.484 5 ↓

Parameters Provided:

ring.id = 58147
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 = 58147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=58147&filter.purchasability=annotated

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