UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-fluoro-3-[[2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzonitrile 4-fluoro-3-[[2-oxo-5-(trifluorom…

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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) 2.94 5.64 -13.12 0 3 0 45 296.223 3 ↓

Analogs

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Popular Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-3-nitro-pyridin-2-one 1-[(4-chloro-3-nitro-phenyl)meth…

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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) 2.40 9.94 -25.75 0 8 0 114 309.665 4 ↓

Analogs

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Popular Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-3-nitro-pyridin-2-one 1-[(2-chloro-5-nitro-phenyl)meth…

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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) 2.40 9.69 -25.4 0 8 0 114 309.665 4 ↓

Analogs

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Popular Name: 3-amino-1-[(3-chlorophenyl)methyl]pyridin-2-one 3-amino-1-[(3-chlorophenyl)methy…

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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) 2.01 5.68 -12.25 2 3 0 48 234.686 2 ↓

Analogs

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Popular Name: 2-[(3-amino-2-oxo-1-pyridyl)methyl]benzonitrile 2-[(3-amino-2-oxo-1-pyridyl)meth…

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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) 1.06 5.08 -7.51 2 4 0 72 225.251 2 ↓

Analogs

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Popular Name: 4-[(3-amino-2-oxo-1-pyridyl)methyl]-3-fluoro-benzonitrile 4-[(3-amino-2-oxo-1-pyridyl)meth…

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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) 1.20 5.46 -8.84 2 4 0 72 243.241 2 ↓

Analogs

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Popular Name: 3-[(3-amino-2-oxo-1-pyridyl)methyl]-4-fluoro-benzonitrile 3-[(3-amino-2-oxo-1-pyridyl)meth…

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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) 1.20 5.58 -13.31 2 4 0 72 243.241 2 ↓

Analogs

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Popular Name: 3-amino-1-[(2-bromo-4-fluoro-phenyl)methyl]pyridin-2-one 3-amino-1-[(2-bromo-4-fluoro-phe…

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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) 2.26 5.42 -6.32 2 3 0 48 297.127 2 ↓

Analogs

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Popular Name: 3-amino-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one 3-amino-1-[(2,4-dichlorophenyl)m…

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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 5.81 -6.17 2 3 0 48 269.131 2 ↓

Analogs

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Popular Name: 3-amino-1-[(2-chloro-4-fluoro-phenyl)methyl]pyridin-2-one 3-amino-1-[(2-chloro-4-fluoro-ph…

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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 5.38 -6.44 2 3 0 48 252.676 2 ↓

Analogs

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Popular Name: 3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one 3-amino-1-[(2-bromophenyl)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) 2.12 5.35 -6.99 2 3 0 48 279.137 2 ↓

Analogs

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Popular Name: 3-amino-1-[(4-tert-butylphenyl)methyl]pyridin-2-one 3-amino-1-[(4-tert-butylphenyl)m…

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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) 3.06 7.49 -10.14 2 3 0 48 256.349 3 ↓

Analogs

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Popular Name: 3-amino-1-benzyl-1,2-dihydropyridin-2-one 3-amino-1-benzyl-1,2-dihydropyri…

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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) 1.36 5.17 -10.47 2 3 0 48 200.241 2 ↓

Analogs

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Popular Name: 3-amino-1-[(2-fluorophenyl)methyl]pyridin-2-one 3-amino-1-[(2-fluorophenyl)methy…

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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) 1.47 5.06 -7.61 2 3 0 48 218.231 2 ↓

Analogs

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Popular Name: 4-[(3-amino-2-oxo-1-pyridyl)methyl]benzonitrile 4-[(3-amino-2-oxo-1-pyridyl)meth…

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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) 1.11 5.56 -13.11 2 4 0 72 225.251 2 ↓

Analogs

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Popular Name: 3-amino-1-[(4-chlorophenyl)methyl]pyridin-2-one 3-amino-1-[(4-chlorophenyl)methy…

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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) 2.03 5.7 -10.36 2 3 0 48 234.686 2 ↓

Analogs

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Popular Name: 3-amino-1-[(3-bromophenyl)methyl]pyridin-2-one 3-amino-1-[(3-bromophenyl)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) 2.14 5.78 -12.18 2 3 0 48 279.137 2 ↓

Analogs

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Popular Name: 3-[(3-amino-2-oxo-1-pyridyl)methyl]benzonitrile 3-[(3-amino-2-oxo-1-pyridyl)meth…

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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 5.55 -16.13 2 4 0 72 225.251 2 ↓

Analogs

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Popular Name: 3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one 3-amino-1-[(3-fluorophenyl)methy…

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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) 1.50 5.24 -13.65 2 3 0 48 218.231 2 ↓

Analogs

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Popular Name: 3-amino-1-[(4-fluorophenyl)methyl]-1,2-dihydropyridin-2-one 3-amino-1-[(4-fluorophenyl)methy…

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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) 1.52 5.25 -11.06 2 3 0 48 218.231 2 ↓

Analogs

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Popular Name: 3-amino-1-(m-tolylmethyl)pyridin-2-one 3-amino-1-(m-tolylmethyl)pyridin…

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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) 1.78 5.84 -10.55 2 3 0 48 214.268 2 ↓

Analogs

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Popular Name: 3-amino-1-(o-tolylmethyl)pyridin-2-one 3-amino-1-(o-tolylmethyl)pyridin…

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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) 1.76 6.09 -10.02 2 3 0 48 214.268 2 ↓

Analogs

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Popular Name: 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one 3-amino-1-[[4-(trifluoromethoxy)…

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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) 2.32 4.97 -9.89 2 4 0 57 284.237 4 ↓

Analogs

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Popular Name: 3-amino-1-[(3-bromo-4-fluoro-phenyl)methyl]pyridin-2-one 3-amino-1-[(3-bromo-4-fluoro-phe…

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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) 2.26 5.84 -9.41 2 3 0 48 297.127 2 ↓

Analogs

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Popular Name: 3-amino-1-[(2-bromo-5-fluoro-phenyl)methyl]pyridin-2-one 3-amino-1-[(2-bromo-5-fluoro-phe…

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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) 2.26 5.42 -7.94 2 3 0 48 297.127 2 ↓

Analogs

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Popular Name: 3-amino-1-[(4-bromophenyl)methyl]pyridin-2-one 3-amino-1-[(4-bromophenyl)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) 2.16 5.8 -10.29 2 3 0 48 279.137 2 ↓

Analogs

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Popular Name: 3-amino-1-[(5-bromo-2-fluoro-phenyl)methyl]pyridin-2-one 3-amino-1-[(5-bromo-2-fluoro-phe…

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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) 2.26 5.69 -7.73 2 3 0 48 297.127 2 ↓

Analogs

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Popular Name: 3-amino-1-[(3-methoxyphenyl)methyl]pyridin-2-one 3-amino-1-[(3-methoxyphenyl)meth…

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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) 1.39 4.47 -14.02 2 4 0 57 230.267 3 ↓

Analogs

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Popular Name: 3-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one 3-amino-1-[(3,4-dimethoxyphenyl)…

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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) 1.00 4.37 -14.63 2 5 0 66 260.293 4 ↓

Analogs

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Popular Name: methyl 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) 1.53 5.83 -15.1 2 5 0 74 258.277 4 ↓

Analogs

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Popular Name: 3-amino-1-[(4-isopropylphenyl)methyl]pyridin-2-one 3-amino-1-[(4-isopropylphenyl)me…

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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) 2.87 7.1 -10.27 2 3 0 48 242.322 3 ↓

Analogs

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Popular Name: 3-amino-1-[(3-fluoro-4-methoxy-phenyl)methyl]pyridin-2-one 3-amino-1-[(3-fluoro-4-methoxy-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) 1.50 4.54 -16.54 2 4 0 57 248.257 3 ↓

Analogs

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Popular Name: 3-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]pyridin-2-one 3-amino-1-[(4-bromo-2-fluoro-phe…

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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) 2.26 5.7 -6.42 2 3 0 48 297.127 2 ↓

Analogs

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Popular Name: 3-amino-1-[(5-chloro-2-methoxy-phenyl)methyl]pyridin-2-one 3-amino-1-[(5-chloro-2-methoxy-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) 2.02 5.1 -9.91 2 4 0 57 264.712 3 ↓

Analogs

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Popular Name: 3-amino-1-[(2,3-difluorophenyl)methyl]pyridin-2-one 3-amino-1-[(2,3-difluorophenyl)m…

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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) 1.59 5.25 -17.87 2 3 0 48 236.221 2 ↓

Analogs

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Popular Name: 3-amino-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one 3-amino-1-[(3,5-dimethylphenyl)m…

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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) 2.18 6.5 -10.43 2 3 0 48 228.295 2 ↓

Analogs

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Popular Name: 3-amino-1-[(2,5-dimethylphenyl)methyl]pyridin-2-one 3-amino-1-[(2,5-dimethylphenyl)m…

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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) 2.18 6.04 -10.55 2 3 0 48 228.295 2 ↓

Analogs

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Popular Name: 3-amino-1-[(2,5-difluorophenyl)methyl]pyridin-2-one 3-amino-1-[(2,5-difluorophenyl)m…

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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) 1.61 5.14 -8.55 2 3 0 48 236.221 2 ↓

Analogs

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Popular Name: 3-amino-1-[(4-ethylphenyl)methyl]pyridin-2-one 3-amino-1-[(4-ethylphenyl)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 6.61 -10.38 2 3 0 48 228.295 3 ↓

Analogs

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Popular Name: 3-amino-1-[(2-chloro-6-fluoro-phenyl)methyl]pyridin-2-one 3-amino-1-[(2-chloro-6-fluoro-ph…

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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 5.59 -7.41 2 3 0 48 252.676 2 ↓

Analogs

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Popular Name: 3-amino-1-[(2-methoxyphenyl)methyl]pyridin-2-one 3-amino-1-[(2-methoxyphenyl)meth…

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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) 1.36 4.59 -9.21 2 4 0 57 230.267 3 ↓

Analogs

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Popular Name: 3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one 3-amino-1-[[4-(trifluoromethyl)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) 2.25 6.18 -11.04 2 3 0 48 268.238 3 ↓

Analogs

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Popular Name: 3-amino-1-[(3,4-dimethylphenyl)methyl]pyridin-2-one 3-amino-1-[(3,4-dimethylphenyl)m…

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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) 2.18 6.39 -10.69 2 3 0 48 228.295 2 ↓

Analogs

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Popular Name: 3-amino-1-[(5-bromo-2-methoxy-phenyl)methyl]pyridin-2-one 3-amino-1-[(5-bromo-2-methoxy-ph…

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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 5.21 -9.9 2 4 0 57 309.163 3 ↓

Analogs

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Popular Name: 3-amino-1-[(3-bromo-4-methoxy-phenyl)methyl]pyridin-2-one 3-amino-1-[(3-bromo-4-methoxy-ph…

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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 5.13 -14.48 2 4 0 57 309.163 3 ↓

Analogs

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Popular Name: 4-methoxy-3-[(3-nitro-2-oxo-1-pyridyl)methyl]benzaldehyde 4-methoxy-3-[(3-nitro-2-oxo-1-py…

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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 8.02 -23.1 0 7 0 94 288.259 5 ↓

Analogs

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Popular Name: 1-[(4-nitrophenyl)methyl]-3-propoxy-pyridin-2-one 1-[(4-nitrophenyl)methyl]-3-prop…

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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) 2.77 9.83 -19.64 0 6 0 77 288.303 6 ↓

Analogs

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Popular Name: (2S)-2-(2-oxo-3-propoxy-1-pyridyl)-2-phenyl-acetic (2S)-2-(2-oxo-3-propoxy-1-pyridy…

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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) 2.04 9.64 -56.84 0 5 -1 71 286.307 6 ↓

Analogs

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Popular Name: (2R)-2-(2-oxo-3-propoxy-1-pyridyl)-2-phenyl-acetic (2R)-2-(2-oxo-3-propoxy-1-pyridy…

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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) 2.04 9.18 -54.46 0 5 -1 71 286.307 6 ↓

Analogs

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Popular Name: 3-ethoxy-1-[(4-nitrophenyl)methyl]pyridin-2-one 3-ethoxy-1-[(4-nitrophenyl)methy…

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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) 2.26 9.03 -19.83 0 6 0 77 274.276 5 ↓

Parameters Provided:

ring.id = 8298
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 = 8298 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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