UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37806823
37806823
37806824
37806824
37806825
37806825
37806826
37806826
53127184
53127184

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Popular Name: (2S)-N-[(1S,2R)-2-methylcyclohexyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1S,2R)-2-methylcyclohex…

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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) 2.91 6.64 -15 2 4 0 50 274.364 2 ↓

Analogs

37806823
37806823
37806824
37806824
37806825
37806825
37806826
37806826

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S,2S)-2-methylcyclohexyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1S,2S)-2-methylcyclohex…

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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) 2.91 6.22 -15.95 2 4 0 50 274.364 2 ↓

Analogs

37806823
37806823
37806824
37806824
37806825
37806825
37806826
37806826

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R,2R)-2-methylcyclohexyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1R,2R)-2-methylcyclohex…

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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) 2.91 6.22 -15.9 2 4 0 50 274.364 2 ↓

Analogs

37806823
37806823
37806824
37806824
37806825
37806825
37806826
37806826

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R,2S)-2-methylcyclohexyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1R,2S)-2-methylcyclohex…

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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) 2.91 6.65 -14.93 2 4 0 50 274.364 2 ↓

Analogs

53127184
53127184
53127186
53127186

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

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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) 2.44 5.95 -16.04 2 4 0 50 274.364 2 ↓

Analogs

35512782
35512782
35512784
35512784
53127184
53127184
53127186
53127186

Draw Identity 99% 90% 80% 70%

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

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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) 2.44 6.39 -15.08 2 4 0 50 274.364 2 ↓

Analogs

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Popular Name: (2S)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1S,2R,4R)-2,4-dimethylc…

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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) 2.91 7.24 -11.58 2 4 0 50 288.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1S,2R,4S)-2,4-dimethylc…

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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) 2.91 6.44 -12.09 2 4 0 50 288.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1R,2R,4R)-2,4-dimethylc…

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Activity (Go SEA)

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) 2.91 6.85 -12.3 2 4 0 50 288.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1R,2R,4S)-2,4-dimethylc…

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Activity (Go SEA)

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) 2.91 6.61 -12.24 2 4 0 50 288.391 2 ↓

Parameters Provided:

ring.id = 46881
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 = 46881 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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