UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38342044
38342044
20596823
20596823
20596774
20596774
35766656
35766656

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Popular Name: 1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic 1-[2-[cyclopentyl(methyl)amino]e…

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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) 1.09 6.16 -71.9 1 6 0 75 238.291 5 ↓

Analogs

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Popular Name: N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclopentanamine N-methyl-N-[2-[4-(methylaminomet…

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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 5.6 -94.89 3 5 2 52 239.367 6 ↓
Hi High (pH 8-9.5) 1.08 4.15 -43.56 2 5 1 47 238.359 6 ↓

Analogs

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Popular Name: N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-cyclopentanamine N-[2-[4-(ethylaminomethyl)triazo…

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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) 1.46 6.46 -94.64 3 5 2 52 253.394 7 ↓
Hi High (pH 8-9.5) 1.46 5.08 -43.32 2 5 1 47 252.386 7 ↓

Analogs

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Popular Name: N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]cyclopentanamine N-methyl-N-[2-[4-(propylaminomet…

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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) 1.96 7.21 -95.9 3 5 2 52 267.421 8 ↓

Analogs

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Popular Name: N-[2-[4-[(isopropylamino)methyl]triazol-1-yl]ethyl]-N-methyl-cyclopentanamine N-[2-[4-[(isopropylamino)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) 1.75 6.98 -93.18 3 5 2 52 267.421 7 ↓
Hi High (pH 8-9.5) 1.75 5.78 -43.07 2 5 1 47 266.413 7 ↓

Analogs

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Popular Name: N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methyl-cyclopentanamine N-[2-[4-[(tert-butylamino)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) 2.27 7.41 -92.38 3 5 2 52 281.448 7 ↓
Hi High (pH 8-9.5) 2.27 6.16 -42.93 2 5 1 47 280.44 7 ↓

Analogs

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Popular Name: N-[2-[4-[(isobutylamino)methyl]triazol-1-yl]ethyl]-N-methyl-cyclopentanamine N-[2-[4-[(isobutylamino)methyl]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) 2.20 7.9 -96.11 3 5 2 52 281.448 8 ↓

Analogs

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Popular Name: N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methyl-cyclopentanamine N-[2-[4-(aminomethyl)triazol-1-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) 0.71 3.73 -99.51 4 5 2 63 225.34 5 ↓
Hi High (pH 8-9.5) 0.71 3.33 -45.73 3 5 1 61 224.332 5 ↓

Analogs

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Popular Name: N-ethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclopentanamine N-ethyl-N-[2-[4-(methylaminometh…

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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) 1.46 5.96 -94.36 3 5 2 52 253.394 7 ↓
Hi High (pH 8-9.5) 1.46 4.51 -44.59 2 5 1 47 252.386 7 ↓

Analogs

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Popular Name: N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]cyclopentanamine N-ethyl-N-[2-[4-(ethylaminomethy…

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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) 1.83 6.8 -94.08 3 5 2 52 267.421 8 ↓
Hi High (pH 8-9.5) 1.83 5.43 -42.32 2 5 1 47 266.413 8 ↓

Analogs

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Popular Name: N-ethyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]cyclopentanamine N-ethyl-N-[2-[4-(propylaminometh…

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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) 2.34 7.57 -95.3 3 5 2 52 281.448 9 ↓

Analogs

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Popular Name: N-ethyl-N-[2-[4-[(isopropylamino)methyl]triazol-1-yl]ethyl]cyclopentanamine N-ethyl-N-[2-[4-[(isopropylamino…

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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) 2.13 7.34 -93.51 3 5 2 52 281.448 8 ↓
Hi High (pH 8-9.5) 2.13 6.12 -44.41 2 5 1 47 280.44 8 ↓

Analogs

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Popular Name: N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-ethyl-cyclopentanamine N-[2-[4-[(tert-butylamino)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) 2.64 7.75 -91.77 3 5 2 52 295.475 8 ↓
Hi High (pH 8-9.5) 2.64 6.53 -44.07 2 5 1 47 294.467 8 ↓

Analogs

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Popular Name: N-ethyl-N-[2-[4-[(isobutylamino)methyl]triazol-1-yl]ethyl]cyclopentanamine N-ethyl-N-[2-[4-[(isobutylamino)…

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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 8.27 -95.63 3 5 2 52 295.475 9 ↓

Analogs

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Popular Name: N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-ethyl-cyclopentanamine N-[2-[4-(aminomethyl)triazol-1-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) 1.08 4.09 -98.94 4 5 2 63 239.367 6 ↓
Hi High (pH 8-9.5) 1.08 3.68 -44.85 3 5 1 61 238.359 6 ↓

Analogs

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Popular Name: 1-[2-[(2-amino-2-oxo-ethyl)-cyclopentyl-amino]ethyl]triazole-4-carboxylic 1-[2-[(2-amino-2-oxo-ethyl)-cycl…

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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) -0.17 2.75 -72.74 3 8 0 118 281.316 7 ↓
Hi High (pH 8-9.5) -0.17 0.35 -52.9 2 8 -1 117 280.308 7 ↓

Parameters Provided:

ring.id = 144757
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 = 144757 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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