UCSF
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Analogs

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Popular Name: 1-(4-Fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride 1-(4-Fluorophenyl)-4,5,6,7-tetra…

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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) 1.59 5.68 -49.29 2 3 1 34 218.255 1 ↓
Mid Mid (pH 6-8) 1.59 4.32 -6.51 1 3 0 30 217.247 1 ↓

Analogs

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Popular Name: 5-Boc-1-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine 5-Boc-1-phenyl-1,4,6,7-tetrahydr…

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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) 2.71 8.66 -9.44 0 5 0 47 299.374 3 ↓

Analogs

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Popular Name: N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]ethanamine N-[[5-ethyl-1-(2-methoxyphenyl)-…

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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) 2.44 6.43 -38.28 2 5 1 47 315.441 6 ↓
Hi High (pH 8-9.5) 2.44 5.04 -10.39 1 5 0 42 314.433 6 ↓
Lo Low (pH 4.5-6) 2.44 8.69 -102.75 3 5 2 48 316.449 6 ↓

Parameters Provided:

ring.id = 509284
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 = 509284 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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