UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41545037
41545037

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Popular Name: (2R)-N-cyclohexyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-cyclohexyl-N,2-dimethyl-3…

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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) 2.68 5.82 -13.13 1 5 0 59 302.374 2 ↓

Analogs

41545034
41545034

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Popular Name: (2S)-N-cyclohexyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-cyclohexyl-N,2-dimethyl-3…

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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) 2.68 7.42 -13.31 1 5 0 59 302.374 2 ↓

Analogs

41545295
41545295
42188027
42188027
42188028
42188028
37027262
37027262
37027263
37027263

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Popular Name: (2R)-2-methyl-N-(4-methylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-N-(4-methylcyclohe…

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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) 2.20 6.71 -12.5 2 5 0 67 302.374 2 ↓

Analogs

42188027
42188027
42188028
42188028
37027262
37027262
37027263
37027263
37027264
37027264

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Popular Name: (2S)-2-methyl-N-(4-methylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-N-(4-methylcyclohe…

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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) 2.20 4.78 -12.25 2 5 0 67 302.374 2 ↓

Analogs

41546857
41546857

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Popular Name: (2S)-N-cyclohexyl-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-cyclohexyl-N,2,6-trimethy…

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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) 3.10 8.09 -12.94 1 5 0 59 316.401 2 ↓

Analogs

41546854
41546854

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Popular Name: (2R)-N-cyclohexyl-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-cyclohexyl-N,2,6-trimethy…

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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) 3.10 6.49 -12.84 1 5 0 59 316.401 2 ↓

Analogs

41546993
41546993

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Popular Name: (2R)-2,6-dimethyl-N-(4-methylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-2,6-dimethyl-N-(4-methylcyc…

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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) 2.63 7.4 -12.04 2 5 0 67 316.401 2 ↓

Analogs

41546990
41546990

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Popular Name: (2S)-2,6-dimethyl-N-(4-methylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-2,6-dimethyl-N-(4-methylcyc…

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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) 2.63 5.46 -11.96 2 5 0 67 316.401 2 ↓

Analogs

41548371
41548371

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Popular Name: (2R)-6-chloro-N-cyclohexyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-cyclohexyl-N,2-d…

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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) 3.33 6.35 -12.25 1 5 0 59 336.819 2 ↓

Analogs

41548369
41548369

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Popular Name: (2S)-6-chloro-N-cyclohexyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-cyclohexyl-N,2-d…

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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) 3.33 7.93 -12.28 1 5 0 59 336.819 2 ↓

Analogs

41548468
41548468
41548470
41548470
41548472
41548472
41548478
41548478
41548480
41548480

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Popular Name: (2R)-6-chloro-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-[(1S,2R…

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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) 3.33 7.47 -11.69 2 5 0 67 336.819 2 ↓

Analogs

41548470
41548470
41548472
41548472
41548478
41548478
41548480
41548480
41548466
41548466

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Popular Name: (2R)-6-chloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-[(1S,2S…

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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) 3.33 7.08 -12.09 2 5 0 67 336.819 2 ↓

Analogs

41548472
41548472
41548478
41548478
41548480
41548480
41548466
41548466
41548468
41548468

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Popular Name: (2R)-6-chloro-2-methyl-N-[(1R,2R)-2-methylcyclohexyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-[(1R,2R…

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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) 3.33 7.07 -12.08 2 5 0 67 336.819 2 ↓

Analogs

41548478
41548478
41548480
41548480
41548466
41548466
41548468
41548468
41548470
41548470

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Popular Name: (2R)-6-chloro-2-methyl-N-[(1R,2S)-2-methylcyclohexyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-[(1R,2S…

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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) 3.33 7.47 -11.53 2 5 0 67 336.819 2 ↓

Analogs

41548480
41548480
41548466
41548466
41548468
41548468
41548470
41548470

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Popular Name: (2R)-6-chloro-2-methyl-N-(4-methylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-(4-meth…

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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) 2.86 7.24 -11.51 2 5 0 67 336.819 2 ↓

Analogs

41548466
41548466
41548468
41548468
41548470
41548470

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Popular Name: (2S)-6-chloro-2-methyl-N-(4-methylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-N-(4-meth…

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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) 2.86 5.29 -11.36 2 5 0 67 336.819 2 ↓

Analogs

41549753
41549753

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Popular Name: (2S)-6-chloro-N-cyclohexyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-cyclohexyl-2-met…

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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) 3.09 4.7 -11.45 2 5 0 67 322.792 2 ↓

Analogs

41549751
41549751

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Popular Name: (2R)-6-chloro-N-cyclohexyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-cyclohexyl-2-met…

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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) 3.09 6.23 -12.19 2 5 0 67 322.792 2 ↓

Parameters Provided:

ring.id = 546797
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 = 546797 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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