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Analogs

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Popular Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylic 2-[(4-methyl-1,2,4-triazol-3-yl)…

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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) 0.73 6.35 -58.73 0 6 -1 84 238.248 4 ↓

Analogs

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Popular Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylic 2-[(4-allyl-5-methyl-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) 1.46 7.62 -59.43 0 6 -1 84 278.313 6 ↓

Analogs

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Popular Name: methyl methyl

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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 8.25 -13.18 2 7 0 96 296.352 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.01 9.76 -14.18 0 6 0 70 293.348 8 ↓

Analogs

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Popular Name: 5-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylic 5-[(5-amino-4-isopropyl-1,2,4-tr…

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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) 1.49 8.92 -53.03 2 7 -1 110 295.344 5 ↓

Analogs

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Popular Name: 2-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylic 2-[(5-amino-4-isopropyl-1,2,4-tr…

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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) 1.27 8.03 -57.57 2 7 -1 110 281.317 5 ↓

Analogs

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Popular Name: 5-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-furan-2-carboxylic 5-[(5-amino-4-isopropyl-1,2,4-tr…

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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) 1.96 8.98 -54.41 2 7 -1 110 295.344 5 ↓

Analogs

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Popular Name: 5-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylic 5-[(5-amino-4-isopropyl-1,2,4-tr…

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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) 1.27 8.13 -52.66 2 7 -1 110 281.317 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.91 9.02 -15.06 2 7 0 96 310.379 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.53 8.1 -15.28 2 7 0 96 296.352 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.22 8.83 -13.1 2 7 0 96 310.379 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.75 8.97 -12.7 2 7 0 96 310.379 6 ↓

Analogs

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Popular Name: 5-(2-furylmethylsulfanyl)-4-isopropyl-1,2,4-triazol-3-amine 5-(2-furylmethylsulfanyl)-4-isop…

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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) 1.77 7.45 -11.34 2 5 0 70 238.316 4 ↓

Analogs

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Popular Name: 4-isopropyl-5-[(5-nitro-2-furyl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(5-nitro-2-furyl)…

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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) 1.86 8.16 -14.64 2 8 0 116 283.313 5 ↓

Analogs

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Popular Name: 5-[(5-bromo-2-furyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(5-bromo-2-furyl)methylsulfan…

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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) 2.70 8.18 -10.57 2 5 0 70 317.212 4 ↓

Analogs

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Popular Name: 4-isopropyl-5-[(5-methyl-2-furyl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(5-methyl-2-furyl…

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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) 1.99 8.27 -11.44 2 5 0 70 252.343 4 ↓

Analogs

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Popular Name: 5-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-furan-2-sulfonamide 5-[(4-amino-5-methyl-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) 0.30 2.74 -15.34 2 8 0 107 317.396 5 ↓

Parameters Provided:

ring.id = 137890
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 = 137890 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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