UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11817906
11817906

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Popular Name: 4-[2-[(5R)-7-[(4-fluorophenyl)methyl]-3,7-diazaspiro[4.5]decan-3-yl]-2-oxo-ethyl]-3H-1,4-benzoxazin- 4-[2-[(5R)-7-[(4-fluorophenyl)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) 2.74 0.31 -61.59 1 6 1 54 438.523 4 ↓

Analogs

11817905
11817905

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Popular Name: 4-[2-[(5S)-7-[(4-fluorophenyl)methyl]-3,7-diazaspiro[4.5]decan-3-yl]-2-oxo-ethyl]-3H-1,4-benzoxazin- 4-[2-[(5S)-7-[(4-fluorophenyl)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) 2.74 0.22 -56.67 1 6 1 54 438.523 4 ↓

Analogs

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Popular Name: (3aS)-2-hydroxy-3a-isopropoxy-7-methyl-3-(4-methylbenzoyl)pyrrolo[5,1-c][1,4]benzoxazine-1,4-dione (3aS)-2-hydroxy-3a-isopropoxy-7-…

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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) 3.29 8.38 -52.35 0 7 -1 96 406.414 4 ↓

Analogs

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Popular Name: (3aR)-2-hydroxy-3a-isopropoxy-7-methyl-3-(4-methylbenzoyl)pyrrolo[5,1-c][1,4]benzoxazine-1,4-dione (3aR)-2-hydroxy-3a-isopropoxy-7-…

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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) 3.29 8.82 -52.44 0 7 -1 96 406.414 4 ↓

Analogs

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Popular Name: diethyl diethyl

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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) 2.88 9.01 -11.93 1 7 0 91 321.329 7 ↓

Analogs

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Popular Name: diethyl diethyl

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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) 2.88 8.31 -8.81 1 7 0 91 321.329 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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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) 3.11 8.83 -10.49 1 7 0 91 341.747 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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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) 3.11 8.13 -7.91 1 7 0 91 341.747 7 ↓

Analogs

16577405
16577405

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Popular Name: 2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]-N-(p-tolyl)acetamide 2-[(3S)-2-oxo-3,4-dihydro-1,4-be…

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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) 4.35 7.06 -9.75 2 5 0 67 296.326 3 ↓

Analogs

16577402
16577402

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Popular Name: 2-[(3R)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]-N-(p-tolyl)acetamide 2-[(3R)-2-oxo-3,4-dihydro-1,4-be…

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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) 4.35 7.01 -9.8 2 5 0 67 296.326 3 ↓

Analogs

16578487
16578487

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Popular Name: 2-[(3S)-4-(furan-2-carbonyl)-2-oxo-3H-1,4-benzoxazin-3-yl]-N-phenyl-acetamide 2-[(3S)-4-(furan-2-carbonyl)-2-o…

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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) 3.77 9.64 -13.46 1 7 0 89 376.368 4 ↓

Analogs

16578485
16578485

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Popular Name: 2-[(3R)-4-(furan-2-carbonyl)-2-oxo-3H-1,4-benzoxazin-3-yl]-N-phenyl-acetamide 2-[(3R)-4-(furan-2-carbonyl)-2-o…

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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) 3.77 9.86 -14.56 1 7 0 89 376.368 4 ↓

Parameters Provided:

ring.id = 50811
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 = 50811 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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