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Analogs

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Popular Name: (6S)-6-(4-chlorophenyl)-2-(propylthio)-6,7-dihydro-[1,2,4]triazino[6,5-d][3,1]benzoxazepine (6S)-6-(4-chlorophenyl)-2-(propy…

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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) 5.26 -3.75 -7.98 1 5 0 59 384.892 4 ↓

Analogs

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Popular Name: (6R)-6-(4-chlorophenyl)-2-(propylthio)-6,7-dihydro-[1,2,4]triazino[6,5-d][3,1]benzoxazepine (6R)-6-(4-chlorophenyl)-2-(propy…

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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) 5.26 -3.78 -7.97 1 5 0 59 384.892 4 ↓

Analogs

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Popular Name: (6S)-6-phenyl-2-(propylthio)-6,7-dihydro-[1,2,4]triazino[6,5-d][3,1]benzoxazepine (6S)-6-phenyl-2-(propylthio)-6,7…

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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) 4.59 -3.63 -8.37 1 5 0 59 350.447 4 ↓

Analogs

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Popular Name: (6R)-6-phenyl-2-(propylthio)-6,7-dihydro-[1,2,4]triazino[6,5-d][3,1]benzoxazepine (6R)-6-phenyl-2-(propylthio)-6,7…

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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) 4.59 -3.61 -8.33 1 5 0 59 350.447 4 ↓

Analogs

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Popular Name: 2-(2-furyl)vinyl-propylsulfanyl-BLAH 2-(2-furyl)vinyl-propylsulfanyl-…

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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) 4.42 -3.26 -10.22 1 6 0 73 366.446 5 ↓

Analogs

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Popular Name: 2-(2-furyl)vinyl-propylsulfanyl-BLAH 2-(2-furyl)vinyl-propylsulfanyl-…

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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) 4.42 -3.26 -10.22 1 6 0 73 366.446 5 ↓

Analogs

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Popular Name: (6S)-6-(1,3-benzodioxol-5-yl)-2-(propylthio)-6,7-dihydro-[1,2,4]triazino[6,5-d][3,1]benzoxazepine (6S)-6-(1,3-benzodioxol-5-yl)-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) 4.48 -4.47 -9.17 1 7 0 78 394.456 4 ↓

Analogs

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Popular Name: (6R)-6-(1,3-benzodioxol-5-yl)-2-(propylthio)-6,7-dihydro-[1,2,4]triazino[6,5-d][3,1]benzoxazepine (6R)-6-(1,3-benzodioxol-5-yl)-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) 4.48 -4.48 -11.78 1 7 0 78 394.456 4 ↓

Analogs

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Popular Name: 6-[5-(4-bromophenyl)-2-furyl]-2-(propylthio)-6,7-dihydro[1,2,4]triazino[6,5-d][3,1]benzoxazepine 6-[5-(4-bromophenyl)-2-furyl]-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) 6.57 -4.18 -9.41 1 6 0 73 495.402 5 ↓

Analogs

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Popular Name: 6-[5-(4-bromophenyl)-2-furyl]-2-(propylthio)-6,7-dihydro[1,2,4]triazino[6,5-d][3,1]benzoxazepine 6-[5-(4-bromophenyl)-2-furyl]-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) 6.57 -4.19 -9.47 1 6 0 73 495.402 5 ↓

Analogs

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Popular Name: (6-methyl-2-pyridyl)-propylsulfanyl-BLAH (6-methyl-2-pyridyl)-propylsulfa…

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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) 3.47 -4.56 -8.12 1 6 0 72 365.462 4 ↓

Analogs

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Popular Name: (6-methyl-2-pyridyl)-propylsulfanyl-BLAH (6-methyl-2-pyridyl)-propylsulfa…

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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) 3.47 -4.56 -8.12 1 6 0 72 365.462 4 ↓

Analogs

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Popular Name: (6S)-6-[(Z)-2-(2-furyl)vinyl]-2-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[6,5-d][3,1]benzoxazepine (6S)-6-[(Z)-2-(2-furyl)vinyl]-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) 4.42 5.71 -10.34 1 6 0 73 366.446 5 ↓

Analogs

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Popular Name: (6R)-6-[(Z)-2-(2-furyl)vinyl]-2-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[6,5-d][3,1]benzoxazepine (6R)-6-[(Z)-2-(2-furyl)vinyl]-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) 4.42 5.73 -10.31 1 6 0 73 366.446 5 ↓

Parameters Provided:

ring.id = 230595
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 = 230595 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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