UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide 2-[[5-(2-methoxyphenyl)-4-(4-met…

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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) 4.15 -0.39 -19.37 2 7 0 92 446.532 8 ↓

Analogs

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Popular Name: 2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide 2-[[5-(2-methoxyphenyl)-4-(4-met…

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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) 4.15 -0.36 -20.12 2 7 0 92 446.532 8 ↓

Analogs

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Popular Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic 4-[[4,5-bis(p-tolyl)-1,2,4-triaz…

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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) 6.17 15.41 -55.87 0 5 -1 71 414.51 6 ↓

Analogs

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Popular Name: 3-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]-5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2 3-[[4-(difluoromethoxy)-3-methox…

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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) 5.63 12.78 -17.14 0 7 0 68 499.539 10 ↓

Analogs

4145430
4145430
4184632
4184632
4209145
4209145
4209149
4209149
4209151
4209151

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Popular Name: 4-(4-chlorophenyl)-3-[(3,4-dichlorobenzyl)thio]-5-(4-methoxyphenyl)-1,2,4-triazole 4-(4-chlorophenyl)-3-[(3,4-dichl…

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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) 7.38 15.22 -8.98 0 4 0 40 476.816 6 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazole 3-(4-chlorophenyl)-5-[(2,5-dimet…

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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) 7.31 2.97 -8.51 0 3 0 30 419.981 5 ↓

Analogs

39744832
39744832

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Popular Name: 3-(4-chlorophenyl)-5-[(4-nitrobenzyl)thio]-4-p-phenetyl-1,2,4-triazole 3-(4-chlorophenyl)-5-[(4-nitrobe…

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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) 6.43 2.59 -11.58 0 7 0 85 466.95 8 ↓

Analogs

4146106
4146106
4184672
4184672
4211969
4211969
4212095
4212095
33704122
33704122

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Popular Name: 3-(4-chlorophenyl)-4-(p-tolyl)-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazole 3-(4-chlorophenyl)-4-(p-tolyl)-5…

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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) 7.36 4.53 -9.13 0 3 0 30 459.924 6 ↓

Analogs

4209066
4209066
4209095
4209095
4211115
4211115

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Popular Name: 3-(benzylsulfanyl)-5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazole 3-(benzylsulfanyl)-5-(4-bromophe…

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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) 6.17 1.43 -8.84 0 3 0 30 422.351 5 ↓

Analogs

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Popular Name: 4-[[5-(2-chlorophenyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-methyl-N-propyl-benzamide 4-[[5-(2-chlorophenyl)-4-(m-toly…

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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) 6.47 17.38 -17.4 0 5 0 51 491.06 8 ↓

Parameters Provided:

ring.id = 45742
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 = 45742 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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