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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-[(1S)-1-amino-2-(3,4-dihydroxyphenyl)ethyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1S)-1-amino-2-(3,4-dihydroxy…

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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) -2.53 -3.86 -59.89 7 7 1 130 237.239 3 ↓
Mid Mid (pH 6-8) -2.53 -4.17 -13.05 6 7 0 128 236.231 3 ↓

Analogs

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Popular Name: 3-[(1R)-1-amino-2-(3,4-dihydroxyphenyl)ethyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1R)-1-amino-2-(3,4-dihydroxy…

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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) -2.53 -3.73 -61.57 7 7 1 130 237.239 3 ↓
Mid Mid (pH 6-8) -2.53 -4.04 -12.66 6 7 0 128 236.231 3 ↓

Analogs

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Popular Name: 3-[(1S)-1-amino-2-phenyl-ethyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1S)-1-amino-2-phenyl-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) -1.57 1.08 -53.51 5 5 1 89 205.241 3 ↓
Mid Mid (pH 6-8) -1.57 0.76 -8.55 4 5 0 88 204.233 3 ↓

Analogs

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Popular Name: 3-[(1R)-1-amino-2-phenyl-ethyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1R)-1-amino-2-phenyl-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) -1.57 1.2 -57.13 5 5 1 89 205.241 3 ↓
Mid Mid (pH 6-8) -1.57 0.92 -8.89 4 5 0 88 204.233 3 ↓

Analogs

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Popular Name: 3-[(1S)-1-amino-2-(4-hydroxyphenyl)ethyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1S)-1-amino-2-(4-hydroxyphen…

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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) -2.04 -1.78 -56.96 6 6 1 109 221.24 3 ↓
Mid Mid (pH 6-8) -2.04 -2.1 -10.67 5 6 0 108 220.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1R)-1-amino-2-(4-hydroxyphen…

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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) -2.04 -1.65 -60.52 6 6 1 109 221.24 3 ↓
Mid Mid (pH 6-8) -2.04 -1.94 -11.06 5 6 0 108 220.232 3 ↓

Analogs

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Popular Name: 3-[(2R)-2-amino-2-phenyl-ethyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(2R)-2-amino-2-phenyl-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) -1.57 1.51 -51.88 5 5 1 89 205.241 3 ↓
Hi High (pH 8-9.5) -1.57 1.19 -9.1 4 5 0 88 204.233 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-amino-2-phenyl-ethyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(2S)-2-amino-2-phenyl-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) -1.57 1.52 -51.9 5 5 1 89 205.241 3 ↓
Hi High (pH 8-9.5) -1.57 1.06 -9.48 4 5 0 88 204.233 3 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenyl-propanoic (2R)-2-methyl-3-(5-oxo-1,4-dihyd…

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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) 0.79 4.88 -50.79 2 6 -1 102 246.246 4 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenyl-propanoic (2S)-2-methyl-3-(5-oxo-1,4-dihyd…

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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) 0.79 4.87 -50.76 2 6 -1 102 246.246 4 ↓

Parameters Provided:

ring.id = 608224
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 = 608224 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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