UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-methyl-1,2,4-triazole-3-thiol 4-[(1R)-1-(2,4-dimethylthiazol-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) 0.60 6.77 -14.02 1 4 0 47 254.384 2 ↓
Mid Mid (pH 6-8) 1.33 6.89 -42.8 0 4 -1 44 253.376 2 ↓

Analogs

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Popular Name: 4-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-methyl-1,2,4-triazole-3-thiol 4-[(1S)-1-(2,4-dimethylthiazol-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) 0.60 6.78 -13.97 1 4 0 47 254.384 2 ↓
Mid Mid (pH 6-8) 1.33 6.9 -42.82 0 4 -1 44 253.376 2 ↓

Analogs

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Popular Name: 4-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-ethyl-1,2,4-triazole-3-thiol 4-[(1S)-1-(2,4-dimethylthiazol-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) 1.17 7.6 -13.38 1 4 0 47 268.411 3 ↓
Mid Mid (pH 6-8) 1.90 7.44 -42.66 0 4 -1 44 267.403 3 ↓

Analogs

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Popular Name: 4-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-ethyl-1,2,4-triazole-3-thiol 4-[(1R)-1-(2,4-dimethylthiazol-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) 1.17 7.61 -13.3 1 4 0 47 268.411 3 ↓
Mid Mid (pH 6-8) 1.90 7.5 -42.47 0 4 -1 44 267.403 3 ↓

Analogs

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Popular Name: 4-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[(1R)-1-(2,4-dimethylthiazol-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) 1.65 7.99 -12.31 1 4 0 47 282.438 3 ↓
Mid Mid (pH 6-8) 2.38 7.93 -42.56 0 4 -1 44 281.43 3 ↓

Analogs

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Popular Name: 4-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[(1S)-1-(2,4-dimethylthiazol-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) 1.65 7.99 -12.2 1 4 0 47 282.438 3 ↓
Mid Mid (pH 6-8) 2.38 7.94 -42.61 0 4 -1 44 281.43 3 ↓

Analogs

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

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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) 0.01 5.83 -15.23 1 4 0 47 226.33 2 ↓
Mid Mid (pH 6-8) 0.74 5.97 -48.8 0 4 -1 44 225.322 2 ↓

Analogs

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

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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) 0.59 6.69 -14.64 1 4 0 47 240.357 3 ↓
Mid Mid (pH 6-8) 1.31 6.57 -48.56 0 4 -1 44 239.349 3 ↓

Analogs

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Popular Name: 5-isopropyl-4-[(2-methylthiazol-5-yl)methyl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[(2-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) 1.07 6.96 -12.68 1 4 0 47 254.384 3 ↓
Mid Mid (pH 6-8) 1.80 7.01 -46.54 0 4 -1 44 253.376 3 ↓

Parameters Provided:

ring.id = 580802
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 = 580802 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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