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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-2-[[4-(trifluoromethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one 9-methyl-2-[[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) 3.92 7.85 -37.87 2 5 1 57 350.32 5 ↓
Mid Mid (pH 6-8) 3.92 7.53 -12.22 1 5 0 56 349.312 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylamino]benzamide 2-[(9-methyl-4-oxo-pyrido[1,2-a]…

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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) 1.72 5.24 -33.19 4 6 1 91 309.349 4 ↓
Mid Mid (pH 6-8) 1.72 4.92 -18.18 3 6 0 89 308.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-2-[(2,3,4-trifluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one 9-methyl-2-[(2,3,4-trifluoroanil…

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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) 3.29 8.27 -42.32 2 4 1 48 320.294 3 ↓
Mid Mid (pH 6-8) 3.29 7.95 -15.62 1 4 0 46 319.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[(2,5-difluoroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one 7-chloro-2-[(2,5-difluoroanilino…

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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) 3.43 7.55 -9.86 1 4 0 46 321.714 3 ↓
Lo Low (pH 4.5-6) 3.43 7.95 -39.32 2 4 1 48 322.722 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-bromo-2-fluoro-anilino)methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(4-bromo-2-fluoro-anilino)met…

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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 8.78 -36.67 2 4 1 48 363.21 3 ↓
Mid Mid (pH 6-8) 3.85 8.46 -12.4 1 4 0 46 362.202 3 ↓

Analogs

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Popular Name: 2-[(N-isopropylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one 2-[(N-isopropylanilino)methyl]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) 3.46 10.26 -37.99 1 4 1 39 294.378 4 ↓
Mid Mid (pH 6-8) 3.46 10.5 -12.9 0 4 0 38 293.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[(N-isopropylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one 7-chloro-2-[(N-isopropylanilino)…

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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) 4.09 11.01 -10.17 0 4 0 38 327.815 4 ↓
Mid Mid (pH 6-8) 4.09 10.76 -39.11 1 4 1 39 328.823 4 ↓

Analogs

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Popular Name: propyl propyl

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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) 4.00 10.42 -42.34 2 6 1 74 352.414 7 ↓
Mid Mid (pH 6-8) 4.00 10.06 -15.34 1 6 0 73 351.406 7 ↓

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) 3.32 8.01 -13.72 1 6 0 73 343.77 5 ↓
Lo Low (pH 4.5-6) 3.32 8.41 -43.79 2 6 1 74 344.778 5 ↓

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) 3.09 8.69 -39.29 2 6 1 74 324.36 5 ↓
Mid Mid (pH 6-8) 3.09 8.37 -15.84 1 6 0 73 323.352 5 ↓

Analogs

22894953
22894953

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Popular Name: 7-methyl-2-[(o-tolylamino)methyl]pyrido[2,1-b]pyrimidin-4-one 7-methyl-2-[(o-tolylamino)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) 3.35 8.32 -11.69 1 4 0 46 279.343 3 ↓

Analogs

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Popular Name: 7-chloro-2-[(methyl-phenyl-amino)methyl]pyrido[2,1-b]pyrimidin-4-one 7-chloro-2-[(methyl-phenyl-amino…

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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 9.13 -10.83 0 4 0 38 299.761 3 ↓

Analogs

70946218
70946218

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Popular Name: 9-methyl-2-[(o-tolylamino)methyl]pyrido[2,1-b]pyrimidin-4-one 9-methyl-2-[(o-tolylamino)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) 3.35 8.54 -11.9 1 4 0 46 279.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3-fluorophenyl)amino]methyl]-9-methyl-pyrido[2,1-b]pyrimidin-4-one 2-[[(3-fluorophenyl)amino]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) 3.09 7.75 -12.53 1 4 0 46 283.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[4-methyl-3-(trifluoromethyl)…

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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) 3.82 8.41 -13.19 1 4 0 46 333.313 4 ↓
Mid Mid (pH 6-8) 3.82 8.81 -40.81 2 4 1 48 334.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(N-[(2R)-2-hydroxypropyl]anilino)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(N-[(2R)-2-hydroxypropyl]anil…

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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 8.24 -40.67 2 5 1 59 324.404 5 ↓
Mid Mid (pH 6-8) 2.92 7.81 -14.57 1 5 0 58 323.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(N-[(2S)-2-hydroxypropyl]anilino)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(N-[(2S)-2-hydroxypropyl]anil…

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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 8.38 -40.68 2 5 1 59 324.404 5 ↓
Mid Mid (pH 6-8) 2.92 7.94 -14.66 1 5 0 58 323.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(N-[(2S)-2-hydroxybutyl]anilino)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(N-[(2S)-2-hydroxybutyl]anili…

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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) 3.43 9.2 -41 2 5 1 59 338.431 6 ↓
Mid Mid (pH 6-8) 3.43 8.77 -14.51 1 5 0 58 337.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(N-[(2R)-2-hydroxybutyl]anilino)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(N-[(2R)-2-hydroxybutyl]anili…

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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) 3.43 9.06 -41.11 2 5 1 59 338.431 6 ↓
Mid Mid (pH 6-8) 3.43 8.63 -14.41 1 5 0 58 337.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(N-[(2S)-2-hydroxybutyl]anilino)methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(N-[(2S)-2-hydroxybutyl]anili…

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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) 3.43 9.31 -38.76 2 5 1 59 338.431 6 ↓
Mid Mid (pH 6-8) 3.43 8.91 -14.65 1 5 0 58 337.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(N-[(2R)-2-hydroxybutyl]anilino)methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(N-[(2R)-2-hydroxybutyl]anili…

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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) 3.43 9.17 -38.91 2 5 1 59 338.431 6 ↓
Mid Mid (pH 6-8) 3.43 8.78 -14.6 1 5 0 58 337.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,2-dimethyl-6-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylamino]benzamide N,2-dimethyl-6-[(7-methyl-4-oxo-…

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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) 2.49 6.63 -38.08 3 6 1 77 337.403 4 ↓
Mid Mid (pH 6-8) 2.49 6.23 -16.89 2 6 0 76 336.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[[4-ethoxy-2-(trifluoromethyl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one 7-chloro-2-[[4-ethoxy-2-(trifluo…

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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 8.81 -12.04 1 5 0 56 397.784 6 ↓
Mid Mid (pH 6-8) 4.43 9.21 -41.09 2 5 1 57 398.792 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3,5-bis(trifluoromethyl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[3,5-bis(trifluoromethyl)anil…

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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) 4.26 8.89 -12.69 1 4 0 46 387.283 5 ↓
Mid Mid (pH 6-8) 4.26 9.29 -43.13 2 4 1 48 388.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chloro-3-nitro-anilino)methyl]pyrido[1,2-a]pyrimidin-4-one 2-[(4-chloro-3-nitro-anilino)met…

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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) 3.11 7.97 -17.42 1 7 0 92 330.731 4 ↓
Mid Mid (pH 6-8) 3.11 8.37 -49.97 2 7 1 93 331.739 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-acetylanilino)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(3-acetylanilino)methyl]-7-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) 2.82 8.31 -40.37 2 5 1 65 308.361 4 ↓
Mid Mid (pH 6-8) 2.82 7.91 -16.69 1 5 0 63 307.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylamino]-N-prop-2-ynyl-benzamide 2-[(7-chloro-4-oxo-pyrido[1,2-a]…

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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) 2.48 7.39 -14.45 2 6 0 76 366.808 5 ↓
Lo Low (pH 4.5-6) 2.48 7.79 -36.2 3 6 1 77 367.816 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-2-[[4-methyl-2-(2,2,2-trifluoroethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one 9-methyl-2-[[4-methyl-2-(2,2,2-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) 4.31 9.51 -34.07 2 5 1 57 378.374 6 ↓
Mid Mid (pH 6-8) 4.31 9.15 -14.35 1 5 0 56 377.366 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[[4-methyl-2-(2,2,2-trifluoroethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one 7-chloro-2-[[4-methyl-2-(2,2,2-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) 4.54 8.86 -11.7 1 5 0 56 397.784 6 ↓
Mid Mid (pH 6-8) 4.54 9.26 -37.86 2 5 1 57 398.792 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylamino]-2-methyl-phenyl]butanamide N-[3-[(7-chloro-4-oxo-pyrido[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) 4.15 8.83 -15.52 2 6 0 76 384.867 6 ↓
Lo Low (pH 4.5-6) 4.15 9.23 -46.59 3 6 1 77 385.875 6 ↓

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) 3.28 8.28 -35.94 2 7 1 83 354.386 6 ↓
Mid Mid (pH 6-8) 3.28 7.95 -16.86 1 7 0 82 353.378 6 ↓

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) 3.51 7.59 -14.17 1 7 0 82 373.796 6 ↓
Mid Mid (pH 6-8) 3.51 7.99 -39.42 2 7 1 83 374.804 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylamino]benzamide 5-chloro-2-[(7-chloro-4-oxo-pyri…

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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) 2.60 5.08 -13.89 3 6 0 89 363.204 4 ↓
Lo Low (pH 4.5-6) 2.60 5.48 -38.27 4 6 1 91 364.212 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-butoxy-5-methoxy-anilino)methyl]pyrido[1,2-a]pyrimidin-4-one 2-[(2-butoxy-5-methoxy-anilino)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) 4.03 8.08 -14.42 1 6 0 65 353.422 8 ↓

Parameters Provided:

ring.id = 29575
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 29575 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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