UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5S)-N-(4-bromo-2-fluoro-phenyl)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-N-(4-bromo-2-fluoro-phenyl)…

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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) 3.86 1.03 -5.51 1 4 0 55 353.191 2 ↓

Analogs

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Popular Name: (5R)-N-(4-bromo-2-fluoro-phenyl)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-N-(4-bromo-2-fluoro-phenyl)…

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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) 3.86 1.03 -5.53 1 4 0 55 353.191 2 ↓

Analogs

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Popular Name: (5R)-N-[4-(diethylamino)phenyl]-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-N-[4-(diethylamino)phenyl]-…

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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) 3.81 1.5 -8.37 1 5 0 58 327.428 5 ↓

Analogs

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Popular Name: (5S)-N-[4-(diethylamino)phenyl]-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-N-[4-(diethylamino)phenyl]-…

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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) 3.81 1.5 -8.37 1 5 0 58 327.428 5 ↓

Analogs

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Popular Name: (5S)-N-(2,4-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-N-(2,4-difluorophenyl)-5-me…

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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) 3.21 7.27 -5.74 1 4 0 55 292.285 2 ↓

Analogs

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Popular Name: (5R)-N-(2,4-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-N-(2,4-difluorophenyl)-5-me…

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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) 3.21 7.27 -5.76 1 4 0 55 292.285 2 ↓

Analogs

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Popular Name: (5S)-N-(2,5-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-N-(2,5-difluorophenyl)-5-me…

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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) 3.21 2.51 -7.42 1 4 0 55 292.285 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(2,5-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-N-(2,5-difluorophenyl)-5-me…

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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) 3.21 2.52 -7.41 1 4 0 55 292.285 2 ↓

Analogs

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Popular Name: N-(4-acetamido-2-chloro-phenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide N-(4-acetamido-2-chloro-phenyl)-…

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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) 2.55 5.61 -13 2 6 0 84 333.775 3 ↓

Analogs

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Popular Name: N-(3-fluoro-4-methoxy-phenyl)-N-isopropyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide N-(3-fluoro-4-methoxy-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) 3.79 8.13 -11.32 0 5 0 56 332.375 4 ↓

Parameters Provided:

ring.id = 243005
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 = 243005 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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