UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4476125
4476125

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Popular Name: 3-[3-(4-methoxyphenoxy)propylsulfanyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole 3-[3-(4-methoxyphenoxy)propylsul…

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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) 4.51 1.35 -15.38 0 6 0 58 385.489 9 ↓

Analogs

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Popular Name: 4-[3-[[4-ethyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-hydroxy-propoxy]benzonitrile 4-[3-[[4-ethyl-5-(4-tert-butylph…

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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) 5.37 1.46 -14.78 1 6 0 84 436.581 9 ↓

Analogs

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Popular Name: 4-[3-[[4-ethyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-hydroxy-propoxy]benzonitrile 4-[3-[[4-ethyl-5-(4-tert-butylph…

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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) 5.37 1.43 -14.78 1 6 0 84 436.581 9 ↓

Analogs

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Popular Name: 3-(2,4-dichlorophenyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-4-amine 3-(2,4-dichlorophenyl)-5-(3-phen…

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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) 5.12 11.16 -12.78 2 5 0 66 395.315 7 ↓

Analogs

31686444
31686444
31842377
31842377

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Popular Name: 3-(3-phenoxypropylsulfanyl)-5-(p-tolyl)-1,2,4-triazol-4-amine 3-(3-phenoxypropylsulfanyl)-5-(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) 4.28 10.61 -12.51 2 5 0 66 340.452 7 ↓

Analogs

31842377
31842377

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Popular Name: 3-(4-methoxyphenyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-4-amine 3-(4-methoxyphenyl)-5-(3-phenoxy…

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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) 3.89 9.27 -12.83 2 6 0 75 356.451 8 ↓

Analogs

31842377
31842377

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Popular Name: 3-[4-(difluoromethoxy)phenyl]-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-4-amine 3-[4-(difluoromethoxy)phenyl]-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) 4.45 9.53 -15.22 2 6 0 75 392.431 9 ↓

Analogs

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Popular Name: 3-(2-bromophenyl)-5-[3-(4-fluorophenoxy)propylsulfanyl]-1,2,4-triazol-4-amine 3-(2-bromophenyl)-5-[3-(4-fluoro…

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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) 4.76 10.44 -13.89 2 5 0 66 423.311 7 ↓

Analogs

14251728
14251728

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Popular Name: (2S)-1-(4-bromophenoxy)-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (2S)-1-(4-bromophenoxy)-3-[(4-et…

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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) 4.72 9.85 -12.64 1 5 0 60 434.359 8 ↓

Analogs

14251726
14251726

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Popular Name: (2R)-1-(4-bromophenoxy)-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (2R)-1-(4-bromophenoxy)-3-[(4-et…

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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) 4.72 9.85 -12.56 1 5 0 60 434.359 8 ↓

Analogs

14251732
14251732

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Popular Name: (2S)-1-(4-bromophenoxy)-3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol (2S)-1-(4-bromophenoxy)-3-[[5-(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) 4.40 8.35 -13.05 1 6 0 69 450.358 8 ↓

Analogs

14251730
14251730

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Popular Name: (2R)-1-(4-bromophenoxy)-3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol (2R)-1-(4-bromophenoxy)-3-[[5-(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) 4.40 8.36 -13.04 1 6 0 69 450.358 8 ↓

Analogs

14252799
14252799

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Popular Name: 1-[4-[(2R)-3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-hydroxy-propoxy]phenyl]pro 1-[4-[(2R)-3-[[5-(4-chlorophenyl…

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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) 4.61 10.23 -16.58 1 6 0 77 431.945 9 ↓

Analogs

14252796
14252796

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Popular Name: 1-[4-[(2S)-3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-hydroxy-propoxy]phenyl]pro 1-[4-[(2S)-3-[[5-(4-chlorophenyl…

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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) 4.61 10.22 -16.6 1 6 0 77 431.945 9 ↓

Analogs

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Popular Name: (2R)-1-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxy-propan-2-ol (2R)-1-[[5-(m-tolyl)-4-propyl-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) 4.83 10.65 -12.8 1 5 0 60 383.517 9 ↓

Analogs

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Popular Name: (2R)-1-(4-ethoxyphenoxy)-3-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol (2R)-1-(4-ethoxyphenoxy)-3-[[4-m…

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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) 4.36 9.14 -13.68 1 6 0 69 399.516 9 ↓

Analogs

10188733
10188733
10188735
10188735

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Popular Name: (2R)-1-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methylphenoxy)propan-2-ol (2R)-1-[[4-methyl-5-(o-tolyl)-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) 4.38 9.6 -12.76 1 5 0 60 369.49 7 ↓

Analogs

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Popular Name: (2S)-1-(2,6-dimethylphenoxy)-3-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol (2S)-1-(2,6-dimethylphenoxy)-3-[…

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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) 4.73 10.51 -12.55 1 5 0 60 383.517 7 ↓

Analogs

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Popular Name: (2R)-1-(2-isopropylphenoxy)-3-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol (2R)-1-(2-isopropylphenoxy)-3-[[…

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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) 4.92 11.02 -12.49 1 5 0 60 397.544 8 ↓

Parameters Provided:

ring.id = 5178
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 = 5178 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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