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Analogs

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Popular Name: 5-methyl-4-[(1S)-1-(3-thienyl)ethyl]-1,2,4-triazole-3-thiol 5-methyl-4-[(1S)-1-(3-thienyl)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) 1.08 6.77 -10.55 1 3 0 34 225.342 2 ↓
Mid Mid (pH 6-8) 1.81 6.94 -45.65 0 3 -1 31 224.334 2 ↓

Analogs

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Popular Name: 5-methyl-4-[(1R)-1-(3-thienyl)ethyl]-1,2,4-triazole-3-thiol 5-methyl-4-[(1R)-1-(3-thienyl)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) 1.08 6.48 -12.01 1 3 0 34 225.342 2 ↓
Mid Mid (pH 6-8) 1.81 6.47 -44 0 3 -1 31 224.334 2 ↓

Analogs

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Popular Name: 5-ethyl-4-[(1S)-1-(3-thienyl)ethyl]-1,2,4-triazole-3-thiol 5-ethyl-4-[(1S)-1-(3-thienyl)eth…

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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 7.55 -10.01 1 3 0 34 239.369 3 ↓
Mid Mid (pH 6-8) 2.38 7.13 -43.76 0 3 -1 31 238.361 3 ↓

Analogs

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Popular Name: 5-ethyl-4-[(1R)-1-(3-thienyl)ethyl]-1,2,4-triazole-3-thiol 5-ethyl-4-[(1R)-1-(3-thienyl)eth…

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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 7.35 -11.43 1 3 0 34 239.369 3 ↓
Mid Mid (pH 6-8) 2.38 7.08 -43.88 0 3 -1 31 238.361 3 ↓

Analogs

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Popular Name: 5-isopropyl-4-[(1S)-1-(3-thienyl)ethyl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[(1S)-1-(3-thienyl…

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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) 2.14 7.67 -10.37 1 3 0 34 253.396 3 ↓
Mid Mid (pH 6-8) 2.86 7.87 -46.16 0 3 -1 31 252.388 3 ↓

Analogs

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Popular Name: 5-isopropyl-4-[(1R)-1-(3-thienyl)ethyl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[(1R)-1-(3-thienyl…

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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) 2.14 7.67 -9.51 1 3 0 34 253.396 3 ↓
Mid Mid (pH 6-8) 2.86 7.88 -46.21 0 3 -1 31 252.388 3 ↓

Analogs

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Popular Name: 4-[(1S)-1-(3-thienyl)ethyl]-1,2,4-triazole-3-thiol 4-[(1S)-1-(3-thienyl)ethyl]-1,2,…

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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) 0.99 6.77 -12.73 1 3 0 34 211.315 2 ↓
Mid Mid (pH 6-8) 1.72 7.06 -45.11 0 3 -1 31 210.307 2 ↓

Analogs

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Popular Name: 4-[(1R)-1-(3-thienyl)ethyl]-1,2,4-triazole-3-thiol 4-[(1R)-1-(3-thienyl)ethyl]-1,2,…

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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) 0.99 6.77 -12.75 1 3 0 34 211.315 2 ↓
Mid Mid (pH 6-8) 1.72 7.06 -45.08 0 3 -1 31 210.307 2 ↓

Analogs

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Popular Name: 4-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-1,2,4-triazole-3-thiol 4-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 1.44 8.75 -10.34 1 3 0 34 239.369 2 ↓
Mid Mid (pH 6-8) 2.16 8.53 -43.94 0 3 -1 31 238.361 2 ↓

Analogs

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Popular Name: 4-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-1,2,4-triazole-3-thiol 4-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 1.44 8.55 -10.48 1 3 0 34 239.369 2 ↓
Mid Mid (pH 6-8) 2.16 8.53 -44.08 0 3 -1 31 238.361 2 ↓

Analogs

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Popular Name: 4-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-methyl-1,2,4-triazole-3-thiol 4-[(1R)-1-(2,5-dimethyl-3-thieny…

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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 8.22 -13.12 1 3 0 34 253.396 2 ↓
Mid Mid (pH 6-8) 2.25 8.31 -47.71 0 3 -1 31 252.388 2 ↓

Analogs

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Popular Name: 4-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-methyl-1,2,4-triazole-3-thiol 4-[(1S)-1-(2,5-dimethyl-3-thieny…

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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 8.02 -12.9 1 3 0 34 253.396 2 ↓
Mid Mid (pH 6-8) 2.25 8.39 -47.71 0 3 -1 31 252.388 2 ↓

Analogs

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Popular Name: 4-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-ethyl-1,2,4-triazole-3-thiol 4-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 2.10 8.85 -12.11 1 3 0 34 267.423 3 ↓
Mid Mid (pH 6-8) 2.82 8.59 -46 0 3 -1 31 266.415 3 ↓

Analogs

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Popular Name: 4-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-ethyl-1,2,4-triazole-3-thiol 4-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 2.10 9.03 -12.41 1 3 0 34 267.423 3 ↓
Mid Mid (pH 6-8) 2.82 8.93 -48.07 0 3 -1 31 266.415 3 ↓

Analogs

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Popular Name: 4-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[(1R)-1-(2,5-dimethyl-3-thieny…

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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 9.03 -11.57 1 3 0 34 281.45 3 ↓
Mid Mid (pH 6-8) 3.31 9.33 -48.47 0 3 -1 31 280.442 3 ↓

Analogs

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Popular Name: 4-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[(1S)-1-(2,5-dimethyl-3-thieny…

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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 9.22 -11.06 1 3 0 34 281.45 3 ↓
Mid Mid (pH 6-8) 3.31 9.32 -48.42 0 3 -1 31 280.442 3 ↓

Parameters Provided:

ring.id = 212049
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 = 212049 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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