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Analogs

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Popular Name: 4-(thiazol-2-ylmethyl)-1,2,4-triazole-3-thiol 4-(thiazol-2-ylmethyl)-1,2,4-tri…

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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) 0.43 5.33 -41.82 0 4 -1 44 197.268 2 ↓
Mid Mid (pH 6-8) -0.30 5.23 -12.03 1 4 0 47 198.276 2 ↓

Analogs

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Popular Name: 5-propyl-4-(thiazol-2-ylmethyl)-1,2,4-triazole-3-thiol 5-propyl-4-(thiazol-2-ylmethyl)-…

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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) 1.59 6.49 -51.49 0 4 -1 44 239.349 4 ↓
Lo Low (pH 4.5-6) 0.87 6.59 -15.88 1 4 0 47 240.357 4 ↓

Analogs

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Popular Name: 4-[(4-methylthiazol-2-yl)methyl]-1,2,4-triazole-3-thiol 4-[(4-methylthiazol-2-yl)methyl]…

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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) 0.65 5.94 -42.25 0 4 -1 44 211.295 2 ↓
Mid Mid (pH 6-8) -0.07 5.84 -12.09 1 4 0 47 212.303 2 ↓

Analogs

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Popular Name: 4-[(4-methylthiazol-2-yl)methyl]-5-propyl-1,2,4-triazole-3-thiol 4-[(4-methylthiazol-2-yl)methyl]…

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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) 1.82 7.1 -51.92 0 4 -1 44 253.376 4 ↓
Lo Low (pH 4.5-6) 1.09 7.2 -15.9 1 4 0 47 254.384 4 ↓

Analogs

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Popular Name: 2-[[4-(thiazol-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-(thiazol-2-ylmethyl)-1,2,4…

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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) -0.12 6.63 -47.29 0 6 -1 84 255.304 5 ↓

Analogs

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Popular Name: 2-[[5-methyl-4-(thiazol-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-(thiazol-2-ylmeth…

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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) -0.03 6.42 -53.72 0 6 -1 84 269.331 5 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-(thiazol-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-(thiazol-2-ylmethy…

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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) 0.54 7.02 -53.14 0 6 -1 84 283.358 6 ↓

Analogs

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Popular Name: 2-[[5-propyl-4-(thiazol-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-propyl-4-(thiazol-2-ylmeth…

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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) 1.04 7.8 -52.57 0 6 -1 84 297.385 7 ↓

Analogs

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Popular Name: 2-[[5-isopropyl-4-(thiazol-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-isopropyl-4-(thiazol-2-ylm…

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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) 1.02 7.47 -53.32 0 6 -1 84 297.385 6 ↓

Analogs

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Popular Name: 2-[[4-[(4-methylthiazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(4-methylthiazol-2-yl)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) 0.10 7.24 -47.42 0 6 -1 84 269.331 5 ↓

Analogs

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Popular Name: 2-[[5-methyl-4-[(4-methylthiazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-[(4-methylthiazol…

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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) 0.19 7.02 -47.6 0 6 -1 84 283.358 5 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-[(4-methylthiazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[(4-methylthiazol-…

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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) 0.76 7.63 -53.42 0 6 -1 84 297.385 6 ↓

Analogs

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Popular Name: 2-[[4-[(4-methylthiazol-2-yl)methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(4-methylthiazol-2-yl)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) 1.26 8.41 -52.9 0 6 -1 84 311.412 7 ↓

Analogs

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Popular Name: 2-[[5-isopropyl-4-[(4-methylthiazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-isopropyl-4-[(4-methylthia…

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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) 1.25 8.08 -47.27 0 6 -1 84 311.412 6 ↓

Parameters Provided:

ring.id = 580823
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 = 580823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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