UCSF
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Analogs

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Popular Name: 1-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(2,5-dimethyl-3-furyl)…

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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) 2.76 8.4 -43.38 2 3 1 33 271.384 2 ↓
Hi High (pH 8-9.5) 2.76 7.14 -4.99 1 3 0 28 270.376 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(2,5-dimethyl-3-furyl)…

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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) 2.76 8.55 -42.38 2 3 1 33 271.384 2 ↓
Hi High (pH 8-9.5) 2.76 7.3 -4.65 1 3 0 28 270.376 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.83 7.57 -44.3 2 5 1 59 287.339 4 ↓
Hi High (pH 8-9.5) 1.83 6.32 -7.47 1 5 0 55 286.331 4 ↓

Parameters Provided:

ring.id = 280339
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 = 280339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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