UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[5-[(3,4-dimethylphenyl)carbamoylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-t 2-[[5-[(3,4-dimethylphenyl)carba…

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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) 1.90 -1.05 -27.89 2 9 0 114 445.574 8 ↓

Analogs

39743471
39743471
39743671
39743671
39743672
39743672
39744422
39744422
39744424
39744424

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Popular Name: 2-[[5-[(3-chloro-4-methyl-phenyl)carbamoylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1 2-[[5-[(3-chloro-4-methyl-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) 2.13 -1.52 -26.79 2 9 0 114 465.992 8 ↓

Analogs

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Popular Name: 2-[[4-ethyl-5-(p-tolylcarbamoylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-y 2-[[4-ethyl-5-(p-tolylcarbamoylm…

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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) 1.52 -1.33 -28.2 2 9 0 114 431.547 8 ↓

Analogs

39753067
39753067
39753068
39753068

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Popular Name: 2-[[4-ethyl-5-[(4-fluorophenyl)carbamoylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiad 2-[[4-ethyl-5-[(4-fluorophenyl)c…

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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) 1.24 7.52 -29.87 2 9 0 115 435.51 8 ↓
Hi High (pH 8-9.5) 1.43 6.32 -62.74 1 9 -1 121 434.502 8 ↓

Analogs

39747825
39747825

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Popular Name: 2-[[5-[(2,4-dimethylphenyl)carbamoylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-t 2-[[5-[(2,4-dimethylphenyl)carba…

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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) 1.90 -0.79 -27.76 2 9 0 114 445.574 8 ↓

Analogs

39761722
39761722
39761723
39761723
39766057
39766057
39766059
39766059

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Popular Name: 2-[[4-ethyl-5-[[3-(trifluoromethyl)phenyl]carbamoylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl- 2-[[4-ethyl-5-[[3-(trifluorometh…

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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) 1.95 0.52 -27.01 2 9 0 114 485.517 9 ↓

Analogs

39747825
39747825
39749022
39749022
39758289
39758289

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Popular Name: 2-[[4-ethyl-5-(o-tolylcarbamoylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-y 2-[[4-ethyl-5-(o-tolylcarbamoylm…

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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) 1.48 -1.11 -27.72 2 9 0 114 431.547 8 ↓

Analogs

39743471
39743471
39743671
39743671
39743672
39743672
39744422
39744422
39744424
39744424

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Popular Name: 2-[[5-[(2-chlorophenyl)carbamoylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiad 2-[[5-[(2-chlorophenyl)carbamoyl…

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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) 1.71 -1.63 -25.37 2 9 0 114 451.965 8 ↓

Analogs

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Popular Name: 2-[[4-ethyl-5-[(2-fluorophenyl)carbamoylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiad 2-[[4-ethyl-5-[(2-fluorophenyl)c…

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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) 1.19 7.56 -26.74 2 9 0 115 435.51 8 ↓
Hi High (pH 8-9.5) 1.38 6.35 -59.21 1 9 -1 121 434.502 8 ↓

Parameters Provided:

ring.id = 4621
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 = 4621 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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