UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-1-[7-(trifluoromethyl)-5,6,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen- N-[(4-chlorophenyl)methyl]-1-[7-…

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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) 3.44 -0.48 -17.87 1 7 0 75 438.841 5 ↓

Analogs

10136020
10136020

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Popular Name: N-[(3-chlorophenyl)methyl]-1-[7-(trifluoromethyl)-5,6,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen- N-[(3-chlorophenyl)methyl]-1-[7-…

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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) 3.41 -0.48 -17.68 1 7 0 75 438.841 5 ↓

Analogs

22466680
22466680

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Popular Name: N-[(4-methoxyphenyl)methyl]-1-[7-(trifluoromethyl)-5,6,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen N-[(4-methoxyphenyl)methyl]-1-[7…

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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) 2.82 -0.31 -19 1 8 0 84 434.422 6 ↓

Analogs

11295271
11295271

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[7-(trifluoromethyl)-5,6,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tet N-[(3,4-dimethoxyphenyl)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) 2.41 0.02 -21.31 1 9 0 93 464.448 7 ↓

Analogs

10042936
10042936

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Popular Name: N-[(2-methoxyphenyl)methyl]-1-[7-(trifluoromethyl)-5,6,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen N-[(2-methoxyphenyl)methyl]-1-[7…

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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) 2.77 -0.26 -18.94 1 8 0 84 434.422 6 ↓

Analogs

36637036
36637036
31097778
31097778

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Popular Name: N-benzyl-N-[(1R)-1-methylpropyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]piperid N-benzyl-N-[(1R)-1-methylpropyl]…

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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) 4.21 13.97 -21.97 0 7 0 67 460.504 7 ↓

Analogs

36637034
36637034
31097778
31097778

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Popular Name: N-benzyl-N-[(1S)-1-methylpropyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]piperid N-benzyl-N-[(1S)-1-methylpropyl]…

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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) 4.21 13.69 -21.69 0 7 0 67 460.504 7 ↓

Analogs

25156161
25156161
31305744
31305744
12870642
12870642
12759232
12759232
10042801
10042801

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Popular Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-y N-[[4-(dimethylaminomethyl)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) 2.56 10.42 -54.98 2 8 1 80 462.5 7 ↓

Analogs

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Popular Name: N-[(3-nitrophenyl)methyl]-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperidine-4-carboxamide N-[(3-nitrophenyl)methyl]-1-([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) 1.70 10.32 -25.4 1 10 0 121 381.396 5 ↓

Parameters Provided:

ring.id = 9376
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrct = adnet
iosrcn = adwords
iocnl1 = google_adsense
iocnl3 = legacy

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 = 9376 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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