UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfa N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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 6.77 -21.31 1 8 0 91 407.521 8 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfa N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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 6.77 -21.32 1 8 0 91 407.521 8 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[4-ethyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfan N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 1.89 7.65 -20.78 1 8 0 91 421.548 9 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[4-ethyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfan N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 1.89 7.65 -20.79 1 8 0 91 421.548 9 ↓

Analogs

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Popular Name: 2-[[4-allyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5-dihydrothiazol-2- 2-[[4-allyl-5-[(1S)-1-(2-methoxy…

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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) 2.16 8.23 -21.06 1 8 0 91 433.559 10 ↓

Analogs

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Popular Name: 2-[[4-allyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5-dihydrothiazol-2- 2-[[4-allyl-5-[(1R)-1-(2-methoxy…

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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) 2.16 8.22 -20.71 1 8 0 91 433.559 10 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(1S)-1-(3-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfa N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 1.93 6.18 -20.56 1 8 0 91 407.521 8 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(1R)-1-(3-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfa N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 1.93 6.18 -20.58 1 8 0 91 407.521 8 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[4-ethyl-5-[(1R)-1-(3-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfan N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 2.31 7.07 -20.2 1 8 0 91 421.548 9 ↓

Analogs

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[4-ethyl-5-[(1S)-1-(3-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfan N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 2.31 7.06 -20.04 1 8 0 91 421.548 9 ↓

Analogs

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Popular Name: 2-[[4-allyl-5-[(1S)-1-(3-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5-dihydrothiazol-2- 2-[[4-allyl-5-[(1S)-1-(3-methoxy…

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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) 2.58 7.63 -17.32 1 8 0 91 433.559 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-allyl-5-[(1R)-1-(3-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5-dihydrothiazol-2- 2-[[4-allyl-5-[(1R)-1-(3-methoxy…

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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) 2.58 7.64 -19.57 1 8 0 91 433.559 10 ↓

Analogs

39748133
39748133
39748134
39748134
39757817
39757817
39757818
39757818

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(2-methoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]s N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 1.58 -2.82 -18.22 1 8 0 90 407.521 8 ↓

Analogs

39749202
39749202
39749204
39749204
39753665
39753665
39753666
39753666
39754568
39754568

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(2,4-dimethylphenoxy)methyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfa N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 3.10 -2.19 -14.5 1 7 0 81 419.576 8 ↓

Analogs

39749202
39749202
39749204
39749204
39753665
39753665
39753666
39753666
39754568
39754568

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Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfa N-(4,5-dihydrothiazol-2-yl)-2-[[…

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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) 3.08 -2.04 -14.4 1 7 0 81 419.576 8 ↓

Parameters Provided:

ring.id = 55794
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 = 55794 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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