UCSF
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Analogs

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Popular Name: N-[(2S)-2-(3-pyridyl)-2-pyrrolidin-1-yl-ethyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2 N-[(2S)-2-(3-pyridyl)-2-pyrrolid…

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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) 0.53 5.65 -95.56 4 7 2 81 356.474 5 ↓
Hi High (pH 8-9.5) 0.53 1.57 -12.82 2 7 0 75 354.458 5 ↓
Mid Mid (pH 6-8) 0.53 2.83 -54.74 3 7 1 80 355.466 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(3-pyridyl)-2-pyrrolidin-1-yl-ethyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2 N-[(2R)-2-(3-pyridyl)-2-pyrrolid…

Find On: PubMed — Wikipedia — Google

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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) 0.53 5.66 -96.37 4 7 2 81 356.474 5 ↓
Hi High (pH 8-9.5) 0.53 2.28 -13.11 2 7 0 75 354.458 5 ↓
Mid Mid (pH 6-8) 0.53 3.55 -56.47 3 7 1 80 355.466 5 ↓

Parameters Provided:

ring.id = 416271
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 = 416271 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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