UCSF
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Analogs

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Popular Name: (5S)-N-[2-(4-bromopyrazol-1-yl)ethyl]-5-tert-butyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-N-[2-(4-bromopyrazol-1-yl)e…

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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) 3.40 0.19 -11.38 1 6 0 72 395.301 5 ↓

Analogs

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Popular Name: (5R)-N-[2-(4-bromopyrazol-1-yl)ethyl]-5-tert-butyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-N-[2-(4-bromopyrazol-1-yl)e…

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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) 3.40 0.19 -11.42 1 6 0 72 395.301 5 ↓

Analogs

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Popular Name: (5R)-5-methyl-N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-5-methyl-N-[2-(5-methyl-3-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) 1.64 0.76 -16.22 1 9 0 118 333.348 5 ↓

Analogs

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Popular Name: (5S)-5-methyl-N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-5-methyl-N-[2-(5-methyl-3-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) 1.64 0.76 -16.22 1 9 0 118 333.348 5 ↓

Analogs

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Popular Name: (5S)-N-[2-(4-bromopyrazol-1-yl)ethyl]-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-N-[2-(4-bromopyrazol-1-yl)e…

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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 -0.73 -11.44 1 6 0 72 353.22 4 ↓

Analogs

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Popular Name: (5R)-N-[2-(4-bromopyrazol-1-yl)ethyl]-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-N-[2-(4-bromopyrazol-1-yl)e…

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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 -0.73 -11.48 1 6 0 72 353.22 4 ↓

Analogs

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Popular Name: N-ethyl-N-(2-pyrazol-1-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide N-ethyl-N-(2-pyrazol-1-ylethyl)-…

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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) 1.73 7.64 -12.08 0 6 0 64 288.351 5 ↓

Parameters Provided:

ring.id = 242630
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 = 242630 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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