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Analogs

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Popular Name: 2-[(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]acetic 2-[(5-oxo-1-phenyl-4H-1,2,4-tria…

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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 2.93 -40.27 2 8 -1 120 261.217 4 ↓
Hi High (pH 8-9.5) -1.53 1.08 -102.55 1 8 -2 123 260.209 4 ↓

Analogs

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Popular Name: (2S)-2-[(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]propanoic (2S)-2-[(5-oxo-1-phenyl-4H-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) -2.20 3.74 -40.97 2 8 -1 120 275.244 4 ↓
Hi High (pH 8-9.5) -1.75 1.87 -103.88 1 8 -2 123 274.236 4 ↓

Analogs

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Popular Name: (2R)-2-[(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]propanoic (2R)-2-[(5-oxo-1-phenyl-4H-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) -2.20 3.72 -41.22 2 8 -1 120 275.244 4 ↓
Hi High (pH 8-9.5) -1.75 1.9 -103.7 1 8 -2 123 274.236 4 ↓

Analogs

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Popular Name: 4-[(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]butanoic 4-[(5-oxo-1-phenyl-4H-1,2,4-tria…

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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) -0.54 4.38 -46.36 2 8 -1 120 289.271 6 ↓
Hi High (pH 8-9.5) -0.08 2.52 -100.99 1 8 -2 123 288.263 6 ↓

Analogs

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Popular Name: 3-[(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]propanoic 3-[(5-oxo-1-phenyl-4H-1,2,4-tria…

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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) -0.81 3.58 -45.67 2 8 -1 120 275.244 5 ↓
Hi High (pH 8-9.5) -0.35 1.72 -100.23 1 8 -2 123 274.236 5 ↓

Analogs

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Popular Name: (2S)-2-[(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]butanoic (2S)-2-[(5-oxo-1-phenyl-4H-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) -1.67 4.76 -48.47 2 8 -1 120 289.271 5 ↓
Hi High (pH 8-9.5) -1.21 2.98 -112.02 1 8 -2 123 288.263 5 ↓

Analogs

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Popular Name: (2R)-2-[(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]butanoic (2R)-2-[(5-oxo-1-phenyl-4H-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) -1.67 4.83 -48.22 2 8 -1 120 289.271 5 ↓
Hi High (pH 8-9.5) -1.21 2.91 -111.82 1 8 -2 123 288.263 5 ↓

Analogs

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Popular Name: (2S)-3-hydroxy-2-[(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]propanoic (2S)-3-hydroxy-2-[(5-oxo-1-pheny…

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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) -3.18 0.62 -51.8 3 9 -1 140 291.243 5 ↓
Hi High (pH 8-9.5) -2.72 -1.24 -116.57 2 9 -2 143 290.235 5 ↓

Analogs

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Popular Name: (2R)-3-hydroxy-2-[(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]propanoic (2R)-3-hydroxy-2-[(5-oxo-1-pheny…

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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) -3.18 0.6 -52.17 3 9 -1 140 291.243 5 ↓
Hi High (pH 8-9.5) -2.72 -1.24 -116.18 2 9 -2 143 290.235 5 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-5-oxo-1-phenyl-4H-1,2,4-triazole-3-carboxamide N-(2-dimethylaminoethyl)-5-oxo-1…

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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) -0.29 4.2 -48.23 3 7 1 84 276.32 5 ↓
Hi High (pH 8-9.5) 0.16 2.35 -64.53 2 7 0 87 275.312 5 ↓

Analogs

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Popular Name: 3-[methyl-(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]propanoic 3-[methyl-(5-oxo-1-phenyl-4H-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) -0.56 5.92 -47.55 1 8 -1 111 289.271 5 ↓
Mid Mid (pH 6-8) -0.10 4.67 -101.52 0 8 -2 114 288.263 5 ↓

Analogs

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Popular Name: 2-[methyl-(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]acetic 2-[methyl-(5-oxo-1-phenyl-4H-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) -1.75 5.56 -48.02 1 8 -1 111 275.244 4 ↓
Mid Mid (pH 6-8) -1.29 4.32 -108.97 0 8 -2 114 274.236 4 ↓

Analogs

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Popular Name: 4-amino-5-methyl-2-phenyl-1,2,4-triazol-3-one 4-amino-5-methyl-2-phenyl-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) -0.08 4.65 -11.22 2 5 0 66 190.206 1 ↓

Parameters Provided:

ring.id = 31306
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 = 31306 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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