UCSF
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Analogs

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Popular Name: (1S,6R)-6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1S,6R)-6-(5-methyl-4-propyl-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) 1.04 9.27 -59.46 0 5 -1 71 248.306 4 ↓

Analogs

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Popular Name: (1S,6S)-6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1S,6S)-6-(5-methyl-4-propyl-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) 1.04 8.44 -52.81 0 5 -1 71 248.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6R)-6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1R,6R)-6-(5-methyl-4-propyl-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) 1.04 8.85 -54.98 0 5 -1 71 248.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6S)-6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1R,6S)-6-(5-methyl-4-propyl-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) 1.04 9.1 -62.7 0 5 -1 71 248.306 4 ↓

Analogs

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Popular Name: (1S,6R)-6-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1S,6R)-6-(4-isopropyl-5-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) 0.90 8.72 -60.73 0 5 -1 71 248.306 3 ↓

Analogs

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Popular Name: (1S,6S)-6-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1S,6S)-6-(4-isopropyl-5-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) 0.90 7.86 -53 0 5 -1 71 248.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6R)-6-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1R,6R)-6-(4-isopropyl-5-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) 0.90 8.23 -55.78 0 5 -1 71 248.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6S)-6-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1R,6S)-6-(4-isopropyl-5-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) 0.90 8.54 -63.57 0 5 -1 71 248.306 3 ↓

Analogs

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Popular Name: (1S,6R)-6-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1S,6R)-6-(4,5-dimethyl-1,2,4-tr…

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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) 0.16 7.65 -60.49 0 5 -1 71 220.252 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6S)-6-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1S,6S)-6-(4,5-dimethyl-1,2,4-tr…

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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) 0.16 7.04 -52.66 0 5 -1 71 220.252 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6R)-6-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1R,6R)-6-(4,5-dimethyl-1,2,4-tr…

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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) 0.16 7.25 -55.51 0 5 -1 71 220.252 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6S)-6-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1R,6S)-6-(4,5-dimethyl-1,2,4-tr…

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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) 0.16 7.48 -63.33 0 5 -1 71 220.252 2 ↓

Analogs

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Popular Name: (1S,6R)-6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1S,6R)-6-(4-ethyl-5-methyl-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) 0.54 8.51 -60.08 0 5 -1 71 234.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6S)-6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1S,6S)-6-(4-ethyl-5-methyl-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) 0.54 7.69 -52.41 0 5 -1 71 234.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6R)-6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1R,6R)-6-(4-ethyl-5-methyl-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) 0.54 8.09 -55.32 0 5 -1 71 234.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6S)-6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic (1R,6S)-6-(4-ethyl-5-methyl-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) 0.54 8.34 -63.29 0 5 -1 71 234.279 3 ↓

Parameters Provided:

ring.id = 606787
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 = 606787 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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