UCSF
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Analogs

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Popular Name: 5-(cyclopentylmethyl)-3-ethyl-1H-1,2,4-triazole 5-(cyclopentylmethyl)-3-ethyl-1H…

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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) 2.12 5.99 -6.15 1 3 0 42 179.267 3 ↓

Analogs

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Popular Name: 1-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentanecarboxylic 1-[(5-ethyl-2-methyl-1,2,4-triaz…

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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) 1.13 7.33 -47.68 0 5 -1 71 236.295 4 ↓
Lo Low (pH 4.5-6) 1.13 7.62 -35.58 1 5 0 72 237.303 4 ↓

Analogs

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Popular Name: 2-[1-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic 2-[1-[(5-ethyl-2-methyl-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) 1.40 7.93 -40.33 0 5 -1 71 250.322 5 ↓
Lo Low (pH 4.5-6) 1.40 8.18 -39.38 1 5 0 72 251.33 5 ↓
Lo Low (pH 4.5-6) 1.40 5.95 -13.12 1 5 0 68 251.33 5 ↓

Analogs

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Popular Name: 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopentanecarboxylic 1-[(2-methyl-5-propyl-1,2,4-tria…

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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) 1.64 8.1 -47.77 0 5 -1 71 250.322 5 ↓
Lo Low (pH 4.5-6) 1.64 8.38 -35.44 1 5 0 72 251.33 5 ↓

Analogs

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Popular Name: 2-[1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic 2-[1-[(2-methyl-5-propyl-1,2,4-t…

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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) 1.91 8.7 -40.15 0 5 -1 71 264.349 6 ↓
Lo Low (pH 4.5-6) 1.91 8.96 -39.06 1 5 0 72 265.357 6 ↓

Analogs

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Popular Name: 1-[(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentanecarboxylic 1-[(5-isopropyl-2-methyl-1,2,4-t…

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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) 1.62 7.78 -47.81 0 5 -1 71 250.322 4 ↓

Analogs

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Popular Name: 2-[1-[(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic 2-[1-[(5-isopropyl-2-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) 1.89 8.38 -40.46 0 5 -1 71 264.349 5 ↓
Lo Low (pH 4.5-6) 1.89 6.4 -13.05 1 5 0 68 265.357 5 ↓

Analogs

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Popular Name: 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentanecarboxylic 1-[(5-tert-butyl-2-methyl-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) 2.28 8.34 -48.23 0 5 -1 71 264.349 4 ↓

Analogs

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Popular Name: 2-[1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic 2-[1-[(5-tert-butyl-2-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) 2.55 8.94 -40.69 0 5 -1 71 278.376 5 ↓
Lo Low (pH 4.5-6) 2.55 6.96 -12.72 1 5 0 68 279.384 5 ↓

Analogs

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Popular Name: 1-[(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentanecarboxylic 1-[(5-isobutyl-2-methyl-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) 1.88 8.58 -47.93 0 5 -1 71 264.349 5 ↓
Lo Low (pH 4.5-6) 1.88 8.72 -35.35 1 5 0 72 265.357 5 ↓

Analogs

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Popular Name: 2-[1-[(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic 2-[1-[(5-isobutyl-2-methyl-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) 2.15 9.1 -40.25 0 5 -1 71 278.376 6 ↓
Lo Low (pH 4.5-6) 2.15 9.76 -39.11 1 5 0 72 279.384 6 ↓
Lo Low (pH 4.5-6) 2.15 7.09 -12.24 1 5 0 68 279.384 6 ↓

Analogs

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

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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) 1.34 6.95 -48.49 1 5 -1 82 236.295 5 ↓

Analogs

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Popular Name: 1-[(5-propyl-1H-1,2,4-triazol-3-yl)methyl]cyclopentanecarboxylic 1-[(5-propyl-1H-1,2,4-triazol-3-…

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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) 1.57 7.09 -49.98 1 5 -1 82 236.295 5 ↓

Analogs

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Popular Name: 2-[1-[(5-propyl-1H-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic 2-[1-[(5-propyl-1H-1,2,4-triazol…

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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) 1.84 7.72 -48.4 1 5 -1 82 250.322 6 ↓

Analogs

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Popular Name: 1-[(5-isopropyl-1H-1,2,4-triazol-3-yl)methyl]cyclopentanecarboxylic 1-[(5-isopropyl-1H-1,2,4-triazol…

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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) 1.55 6.7 -45.62 1 5 -1 82 236.295 4 ↓

Analogs

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Popular Name: 2-[1-[(5-isopropyl-1H-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic 2-[1-[(5-isopropyl-1H-1,2,4-tria…

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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 -51.21 1 5 -1 82 250.322 5 ↓

Analogs

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Popular Name: 1-(1H-1,2,4-triazol-3-ylmethyl)cyclopentanecarboxylic 1-(1H-1,2,4-triazol-3-ylmethyl)c…

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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) 0.41 5.87 -47.86 1 5 -1 82 194.214 3 ↓

Analogs

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Popular Name: 2-[1-(1H-1,2,4-triazol-3-ylmethyl)cyclopentyl]acetic 2-[1-(1H-1,2,4-triazol-3-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) 0.68 6.49 -47.76 1 5 -1 82 208.241 4 ↓

Parameters Provided:

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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 = 21604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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