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Analogs

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Popular Name: 2-[[4-isopropyl-5-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1,2,4-triazol-3-yl]sulfanyl]acet 2-[[4-isopropyl-5-[methyl-[[(2S)…

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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) 1.16 9.67 -49.56 0 7 -1 83 313.403 7 ↓

Analogs

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Popular Name: 2-[[4-isopropyl-5-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-1,2,4-triazol-3-yl]sulfanyl]acet 2-[[4-isopropyl-5-[methyl-[[(2R)…

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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) 1.16 9.62 -52.9 0 7 -1 83 313.403 7 ↓

Analogs

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Popular Name: 2-[[5-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[methyl-[[(2S)-tetrahydrof…

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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) 1.30 10.02 -48.39 0 7 -1 83 313.403 8 ↓

Analogs

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Popular Name: 2-[[5-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[methyl-[[(2R)-tetrahydrof…

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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) 1.30 9.88 -51.77 0 7 -1 83 313.403 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.42 8.42 -48.35 0 7 -1 83 285.349 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.42 8.23 -51.69 0 7 -1 83 285.349 6 ↓

Analogs

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

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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) 0.80 9.27 -48.6 0 7 -1 83 299.376 7 ↓

Analogs

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

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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) 0.80 9.13 -51.91 0 7 -1 83 299.376 7 ↓

Analogs

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

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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) 0.80 8.9 -51.53 0 7 -1 83 299.376 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.80 9.16 -48.51 0 7 -1 83 299.376 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 10.04 -48.83 0 7 -1 83 313.403 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 9.82 -51.9 0 7 -1 83 313.403 8 ↓

Parameters Provided:

ring.id = 541709
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 = 541709 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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