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Analogs

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Popular Name: (2S)-2-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-(4,5-dimethyl-1,2,4-triaz…

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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) 0.96 5.03 -15.2 1 5 0 52 230.271 1 ↓

Analogs

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Popular Name: (2R)-2-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-(4,5-dimethyl-1,2,4-triaz…

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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) 0.96 5.01 -15.11 1 5 0 52 230.271 1 ↓

Analogs

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Popular Name: (2S)-2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-(4-ethyl-5-methyl-1,2,4-t…

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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) 1.34 5.87 -14.45 1 5 0 52 244.298 2 ↓

Analogs

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Popular Name: (2R)-2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-(4-ethyl-5-methyl-1,2,4-t…

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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) 1.34 5.9 -14.85 1 5 0 52 244.298 2 ↓

Analogs

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Popular Name: (2S)-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-(5-methyl-4-propyl-1,2,4-…

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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) 1.84 6.62 -13.8 1 5 0 52 258.325 3 ↓

Analogs

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Popular Name: (2R)-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-(5-methyl-4-propyl-1,2,4-…

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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) 1.84 6.66 -14.3 1 5 0 52 258.325 3 ↓

Analogs

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Popular Name: (2S)-2-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-(4-isopropyl-5-methyl-1,2…

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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) 1.70 6.06 -14.47 1 5 0 52 258.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-(4-isopropyl-5-methyl-1,2…

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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) 1.70 6.04 -14.43 1 5 0 52 258.325 2 ↓

Parameters Provided:

ring.id = 604257
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 = 604257 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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