UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[2-(2-thienyl)ethyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[2-(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) 1.15 3.54 -14.08 2 4 0 62 286.356 4 ↓

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[2-(2-thienyl)ethyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[2-(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) 1.42 4.32 -12 2 4 0 62 300.383 5 ↓

Analogs

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Popular Name: (E)-3-[5-[2-(2-thienyl)ethylcarbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[2-(2-thienyl)ethylcarb…

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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) 1.37 6.58 -52.96 1 5 -1 82 301.347 6 ↓

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[2-(2-thienyl)ethyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[2-(2-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) 0.58 4.25 -53.87 4 4 1 70 286.38 4 ↓
Mid Mid (pH 6-8) 0.58 3.84 -11.97 3 4 0 68 285.372 4 ↓

Analogs

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Popular Name: 5-bromo-N-[2-(5-bromo-2-thienyl)ethyl]pyridine-3-carboxamide 5-bromo-N-[2-(5-bromo-2-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) 3.49 -3.6 -9.78 1 3 0 41 390.1 4 ↓

Analogs

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Popular Name: N-[2-(5-bromo-2-thienyl)ethyl]-5,6-dichloro-pyridine-3-carboxamide N-[2-(5-bromo-2-thienyl)ethyl]-5…

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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) 4.16 -3.25 -9.92 1 3 0 41 380.094 4 ↓

Analogs

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Popular Name: N-[2-(5-bromo-2-thienyl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide N-[2-(5-bromo-2-thienyl)ethyl]-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) 3.42 -2.92 -13.23 1 3 0 41 357.298 5 ↓

Analogs

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Popular Name: N-[2-(5-bromo-2-thienyl)ethyl]-6-methoxy-pyridine-3-carboxamide N-[2-(5-bromo-2-thienyl)ethyl]-6…

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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) 2.93 -3.73 -10.35 1 4 0 51 341.23 5 ↓

Analogs

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Popular Name: N-[2-(5-bromo-2-thienyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide N-[2-(5-bromo-2-thienyl)ethyl]-6…

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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) 3.85 -1.9 -11.22 1 4 0 51 409.227 7 ↓

Analogs

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Popular Name: N-[2-(2-thienyl)ethyl]nicotinamide N-[2-(2-thienyl)ethyl]nicotinamide

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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) 1.60 4.74 -9.95 1 3 0 42 232.308 4 ↓

Analogs

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Popular Name: N-[2-(2-thienyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide N-[2-(2-thienyl)ethyl]-6-(2,2,2-…

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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) 2.92 4.63 -10.75 1 4 0 51 330.331 7 ↓

Analogs

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Popular Name: 6-fluoro-N-[2-(2-thienyl)ethyl]pyridine-3-carboxamide 6-fluoro-N-[2-(2-thienyl)ethyl]p…

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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 4.67 -9.85 1 3 0 42 250.298 4 ↓

Analogs

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Popular Name: N-[2-(5-chloro-2-thienyl)ethyl]-2-thioxo-1H-pyridine-3-carboxamide N-[2-(5-chloro-2-thienyl)ethyl]-…

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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) 3.08 5.86 -60.74 1 3 -1 42 297.812 4 ↓
Mid Mid (pH 6-8) 2.35 6.2 -37.48 2 3 0 45 298.82 4 ↓

Analogs

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Popular Name: N5-[2-(2-thienyl)ethyl]pyridine-2,5-dicarboxamide N5-[2-(2-thienyl)ethyl]pyridine-…

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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) 0.49 1.57 -13.12 3 5 0 85 275.333 5 ↓

Analogs

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Popular Name: N5-[2-(5-chloro-2-thienyl)ethyl]pyridine-2,5-dicarboxamide N5-[2-(5-chloro-2-thienyl)ethyl]…

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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) 1.29 2.19 -13.7 3 5 0 85 309.778 5 ↓

Analogs

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Popular Name: N5-[2-(5-bromo-2-thienyl)ethyl]pyridine-2,5-dicarboxamide N5-[2-(5-bromo-2-thienyl)ethyl]p…

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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) 1.42 2.3 -13.75 3 5 0 85 354.229 5 ↓

Analogs

40494391
40494391

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Popular Name: 2,6-dimethoxy-N-[2-(2-thienyl)ethyl]pyridine-3-carboxamide 2,6-dimethoxy-N-[2-(2-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) 2.34 3.26 -13.8 1 5 0 60 292.36 6 ↓

Analogs

48693865
48693865
9494217
9494217
33205170
33205170
33205171
33205171
38592988
38592988

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Popular Name: 2-pentylsulfanyl-N-[2-(2-thienyl)ethyl]pyridine-3-carboxamide 2-pentylsulfanyl-N-[2-(2-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) 4.43 9.12 -12.77 1 3 0 42 334.51 9 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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