UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60220359
60220359

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Popular Name: (5R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-ethyl-4-(2-phenoxyethyl)-1-propyl-1,2,4-triazolidin-3-on (5R)-2-[4-(3-chlorophenyl)pipera…

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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) 5.76 12.34 -14.64 0 7 0 42 472.033 9 ↓

Analogs

60220357
60220357

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Popular Name: (5S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-ethyl-4-(2-phenoxyethyl)-1-propyl-1,2,4-triazolidin-3-on (5S)-2-[4-(3-chlorophenyl)pipera…

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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) 5.76 12.89 -14.84 0 7 0 42 472.033 9 ↓

Analogs

12856994
12856994

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Popular Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolan-3-yl]-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione 5-[[3-chloro-5-(trifluoromethyl)…

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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 -2.05 -17.25 2 11 0 119 592.749 5 ↓

Analogs

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Popular Name: 2-phenyl-9,12-dioxa-1,2,4-triazadispiro[4.2.4.2]tetradecan-3-one 2-phenyl-9,12-dioxa-1,2,4-triaza…

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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) 2.17 3.76 -10.39 2 6 0 63 289.335 1 ↓

Analogs

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Popular Name: 2,10-diphenyl-1,2,4,9,10,12-hexaazadispiro[4.2.4.2]tetradecane-3,11-dione 2,10-diphenyl-1,2,4,9,10,12-hexa…

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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) 3.34 -8.15 -16.03 4 8 0 88 378.436 2 ↓

Analogs

8781724
8781724
8781725
8781725
8781726
8781726

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Popular Name: N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-3-(3-methyl-5-oxo-1-phenyl-1,2,4-triazolan-3-yl)-4,5-dihydro-5-isoxazolecarbohydrazide N'-[3-chloro-5-(trifluoromethyl)…

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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) 2.60 -2.53 -23.87 3 10 0 111 497.865 6 ↓

Analogs

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Popular Name: 2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one 2-phenyl-1,2,4-triazaspiro[4.5]d…

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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) 3.27 4.9 -9.39 2 4 0 44 231.299 1 ↓

Analogs

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Popular Name: 5-(4-hydroxyphenyl)-5-methyl-2-phenyl-1,2,4-triazolan-3-one 5-(4-hydroxyphenyl)-5-methyl-2-p…

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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) 2.85 -4.43 -10.82 3 5 0 64 269.304 2 ↓

Analogs

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Popular Name: 5-(4-hydroxyphenyl)-5-methyl-2-phenyl-1,2,4-triazolan-3-one 5-(4-hydroxyphenyl)-5-methyl-2-p…

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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) 2.85 3.16 -10.82 3 5 0 65 269.304 2 ↓

Analogs

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Popular Name: (spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one (spiro[5,5-adamantyl])-2-phenyl-…

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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) 4.14 6.68 -8.75 2 4 0 44 283.375 1 ↓

Analogs

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Popular Name: 2-phenyl-1,2,4-triazaspiro[4.5]decane-3,8-dione 2-phenyl-1,2,4-triazaspiro[4.5]d…

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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) 1.47 4.03 -12.32 2 5 0 61 245.282 1 ↓

Parameters Provided:

ring.id = 198469
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 = 198469 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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