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Analogs

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Popular Name: 1-(beta-Phenylethyl)triazolo(4,5-c)pyridine hydrochloride; 1H-1,2,3-Triazolo(4,5-c)pyridine, 1-(2-phenylethyl)-, monohydrochloride; 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride; LS-156731; PCA9 1-(beta-Phenylethyl)triazolo(4,5…

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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) 2.07 5.85 -8 0 4 0 44 224.267 3 ↓
Lo Low (pH 4.5-6) 2.07 6.13 -42.05 1 4 1 45 225.275 3 ↓

Analogs

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Popular Name: 1-(2-bromo-4-isopropyl-phenyl)-N-butyl-N-ethyl-6-methyl-triazolo[4,5-c]pyridin-4-amine 1-(2-bromo-4-isopropyl-phenyl)-N…

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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) 6.48 13.25 -8.69 0 5 0 47 430.394 7 ↓

Analogs

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Popular Name: LS-152088 LS-152088

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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) 1.32 11.86 -36.83 0 4 1 35 303.474 11 ↓

Analogs

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Popular Name: 2-(7-bromo-1-methyl-triazolo[4,5-c]pyridin-5-ium-5-yl)-1-(4-chlorophenyl)ethanone 2-(7-bromo-1-methyl-triazolo[4,5…

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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 8.03 -46.06 0 5 1 52 366.626 3 ↓

Analogs

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Popular Name: 5-(5,7-dichloroindolin-1-yl)-9-[3-methoxy-1-(2-methoxyethyl)propyl]-3-methyl-4,7,8,9-tetrazabicyclo[ 5-(5,7-dichloroindolin-1-yl)-9-[…

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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) 4.37 -0.41 -14.24 0 7 0 65 450.37 8 ↓

Analogs

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Popular Name: 8-chloro-1-[9-(1-ethylpropyl)-3-methyl-4,7,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-5-yl]-6-me 8-chloro-1-[9-(1-ethylpropyl)-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) 5.91 1.52 -11.39 0 5 0 46 383.927 4 ↓

Analogs

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Popular Name: 5-(5,7-dibromoindolin-1-yl)-9-[3-methoxy-1-(methoxymethyl)propyl]-3-methyl-4,7,8,9-tetrazabicyclo[4. 5-(5,7-dibromoindolin-1-yl)-9-[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) 4.37 -1.88 -12.78 0 7 0 65 525.245 7 ↓

Parameters Provided:

ring.id = 133649
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 = 133649 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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