UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(2-fluorophenyl)methylamino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(2-fluorophenyl)methylamino]-…

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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) 1.06 -4.05 -13.97 2 5 0 71 234.234 3 ↓

Analogs

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Popular Name: 4-[[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide 4-[[(6-methyl-3-oxo-2H-1,2,4-tri…

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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) -0.36 -11 -20.42 4 8 0 131 295.324 4 ↓

Analogs

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Popular Name: 5-[(4-methoxyphenyl)methylamino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(4-methoxyphenyl)methylamino]…

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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) 1.00 -4.73 -14.25 2 6 0 80 246.27 4 ↓

Analogs

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Popular Name: 4-[[(3-oxo-2H-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide 4-[[(3-oxo-2H-1,2,4-triazin-5-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) -1.00 -11.19 -21.19 4 8 0 131 281.297 4 ↓

Analogs

39317314
39317314

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one 5-[(2-fluorophenyl)methylamino]-…

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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) 0.42 -4.24 -14.49 2 5 0 71 220.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-methoxyphenyl)methylamino]-2H-1,2,4-triazin-3-one 5-[(4-methoxyphenyl)methylamino]…

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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) 0.36 -4.91 -14.91 2 6 0 80 232.243 4 ↓

Analogs

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Popular Name: 5-[(3,4-dimethoxyphenyl)methylamino]-2H-1,2,4-triazin-3-one 5-[(3,4-dimethoxyphenyl)methylam…

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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) -0.05 -4.59 -17.27 2 7 0 89 262.269 5 ↓

Parameters Provided:

ring.id = 66187
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 = 66187 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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