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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20890141
20890141

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Popular Name: 3-(4-fluorophenyl)-1-[(1S)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]propyl]urea 3-(4-fluorophenyl)-1-[(1S)-1-[(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) 3.07 5.59 -18.22 2 7 0 89 355.373 5 ↓

Analogs

20890137
20890137

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Popular Name: 3-(4-fluorophenyl)-1-[(1R)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]propyl]urea 3-(4-fluorophenyl)-1-[(1R)-1-[(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) 3.07 5.77 -13.82 2 7 0 89 355.373 5 ↓

Analogs

20890159
20890159

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Popular Name: 3-(o-tolyl)-1-[(1S)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]propyl]urea 3-(o-tolyl)-1-[(1S)-1-[(4-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) 3.31 6.35 -18.1 2 7 0 89 351.41 5 ↓

Analogs

20890153
20890153

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Popular Name: 3-(o-tolyl)-1-[(1R)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]propyl]urea 3-(o-tolyl)-1-[(1R)-1-[(4-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) 3.31 6.52 -14.24 2 7 0 89 351.41 5 ↓

Analogs

20890167
20890167
8613868
8613868
8613869
8613869

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Popular Name: 3-(m-tolyl)-1-[(1S)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]propyl]urea 3-(m-tolyl)-1-[(1S)-1-[(4-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) 3.33 6.2 -18.59 2 7 0 89 351.41 5 ↓

Analogs

8613868
8613868
8613869
8613869

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(m-tolyl)-1-[(1R)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]propyl]urea 3-(m-tolyl)-1-[(1R)-1-[(4-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) 3.33 6.37 -14.14 2 7 0 89 351.41 5 ↓

Analogs

20890175
20890175

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Popular Name: 3-(2-fluorophenyl)-1-[(1S)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]propyl]urea 3-(2-fluorophenyl)-1-[(1S)-1-[(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) 3.03 5.65 -16.14 2 7 0 89 355.373 5 ↓

Analogs

20890171
20890171

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Popular Name: 3-(2-fluorophenyl)-1-[(1R)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]propyl]urea 3-(2-fluorophenyl)-1-[(1R)-1-[(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) 3.03 5.79 -12.54 2 7 0 89 355.373 5 ↓

Analogs

20890181
20890181

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Popular Name: 3-(2,4-difluorophenyl)-1-[(1S)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]propyl]urea 3-(2,4-difluorophenyl)-1-[(1S)-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) 3.17 5.72 -14.63 2 7 0 89 373.363 5 ↓

Analogs

20890178
20890178

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Popular Name: 3-(2,4-difluorophenyl)-1-[(1R)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]propyl]urea 3-(2,4-difluorophenyl)-1-[(1R)-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) 3.17 5.86 -10.93 2 7 0 89 373.363 5 ↓

Parameters Provided:

ring.id = 76004
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 = 76004 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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