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

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Popular Name: N-(2-isopropyl-1,3-benzoxazol-5-yl)BLAHcarboxamide N-(2-isopropyl-1,3-benzoxazol-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) 4.47 6.51 -16.03 1 6 0 72 382.47 3 ↓

Analogs

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Popular Name: N-[3-[(2R)-2-methyl-1-piperidyl]propyl]BLAHcarboxamide N-[3-[(2R)-2-methyl-1-piperidyl]…

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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) 3.27 9.06 -45.23 2 5 1 51 363.532 5 ↓

Analogs

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Popular Name: N-[3-[(2S)-2-methyl-1-piperidyl]propyl]BLAHcarboxamide N-[3-[(2S)-2-methyl-1-piperidyl]…

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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) 3.27 9.06 -45.23 2 5 1 51 363.532 5 ↓

Analogs

31526534
31526534

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Popular Name: N-allyl-N-(2-thienylmethyl)BLAHcarboxamide N-allyl-N-(2-thienylmethyl)BLAHc…

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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 9.48 -13.24 0 4 0 38 359.501 5 ↓

Analogs

25778424
25778424

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Popular Name: (4-methylsulfonylpiperazin-1-yl)-BLAHyl-methanone (4-methylsulfonylpiperazin-1-yl)…

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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) 1.24 3.88 -21.1 0 7 0 75 370.481 2 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)BLAHcarboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 1.71 4.37 -14.35 1 5 0 58 307.4 4 ↓

Analogs

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Popular Name: N-(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)BLAHcarboxamide N-(5-benzyl-6,7-dihydro-4H-thiaz…

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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) 4.20 12.09 -54.14 2 6 1 64 452.61 4 ↓
Mid Mid (pH 6-8) 4.20 9.82 -17.66 1 6 0 63 451.602 4 ↓

Analogs

25418440
25418440
25426209
25426209

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Popular Name: N-(4-acetylphenyl)BLAHcarboxamide N-(4-acetylphenyl)BLAHcarboxamide

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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) 3.33 8.02 -15.68 1 5 0 63 341.417 3 ↓

Analogs

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Popular Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-BLAHyl-methanone [(2S)-2-(1H-benzimidazol-2-yl)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) 3.56 9.15 -17.45 1 6 0 66 393.497 2 ↓
Mid Mid (pH 6-8) 3.56 9.44 -36.28 2 6 1 68 394.505 2 ↓

Analogs

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Popular Name: [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-BLAHyl-methanone [(2R)-2-(1H-benzimidazol-2-yl)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) 3.56 8.77 -19.02 1 6 0 66 393.497 2 ↓
Mid Mid (pH 6-8) 3.56 9.44 -36.26 2 6 1 68 394.505 2 ↓

Analogs

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Popular Name: N-(3-acetylphenyl)BLAHcarboxamide N-(3-acetylphenyl)BLAHcarboxamide

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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) 3.30 7.87 -22.61 1 5 0 63 341.417 3 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)BLAHcarboxamide N-(4-ethoxyphenyl)BLAHcarboxamide

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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) 3.86 7.74 -15.3 1 5 0 56 343.433 4 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)BLAHcarboxamide N-(4-chlorophenyl)BLAHcarboxamide

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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) 4.11 8.02 -13.55 1 4 0 46 333.825 2 ↓

Analogs

36793310
36793310

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Popular Name: morpholino-BLAHyl-methanone morpholino-BLAHyl-methanone

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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 4.98 -13.16 0 5 0 47 293.373 1 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)BLAHcarboxamide N-(2-fluorophenyl)BLAHcarboxamide

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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) 3.54 7.61 -12.87 1 4 0 46 317.37 2 ↓

Analogs

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Popular Name: N-(2-pyridylmethyl)BLAHcarboxamide N-(2-pyridylmethyl)BLAHcarboxamide

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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 5.78 -14.73 1 5 0 59 314.395 3 ↓

Analogs

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Popular Name: N-[3-(1-piperidylsulfonyl)phenyl]BLAHcarboxamide N-[3-(1-piperidylsulfonyl)phenyl…

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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) 3.63 7.52 -18.21 1 7 0 84 446.579 4 ↓

Analogs

31803304
31803304

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Popular Name: N-(3,4-dimethylphenyl)BLAHcarboxamide N-(3,4-dimethylphenyl)BLAHcarbox…

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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) 4.25 8.82 -14.22 1 4 0 46 327.434 2 ↓

Analogs

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Popular Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]BLAHcarboxamide N-methyl-N-[(4-methylsulfanylphe…

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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) 3.81 10.52 -16.57 0 4 0 38 373.528 4 ↓

Analogs

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Popular Name: N'-(4-butoxy-3-methoxy-benzoyl)BLAHcarbohydrazide N'-(4-butoxy-3-methoxy-benzoyl)B…

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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) 3.61 8.08 -18.16 2 8 0 94 444.538 8 ↓

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)BLAHcarboxamide N-(2-chloro-4-methyl-phenyl)BLAH…

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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) 4.48 8.79 -12.1 1 4 0 46 347.852 2 ↓

Analogs

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Popular Name: butyl butyl

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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) 5.04 10.63 -17.12 1 6 0 73 399.497 7 ↓

Analogs

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Popular Name: N-methyl-N-phenyl-BLAHcarboxamide N-methyl-N-phenyl-BLAHcarboxamide

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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) 3.67 8.62 -14.83 0 4 0 38 313.407 2 ↓

Analogs

25418440
25418440
25426209
25426209
37868426
37868426

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Popular Name: N-(2,4-dimethylphenyl)BLAHcarboxamide N-(2,4-dimethylphenyl)BLAHcarbox…

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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) 4.25 8.97 -13.98 1 4 0 46 327.434 2 ↓

Analogs

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Popular Name: N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]BLAHcarbohydrazide N'-[(2S)-2-(4-ethoxyphenoxy)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) 3.29 7.79 -19.45 2 8 0 94 430.511 7 ↓

Analogs

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Popular Name: N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]BLAHcarbohydrazide N'-[(2R)-2-(4-ethoxyphenoxy)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) 3.29 7.76 -19.48 2 8 0 94 430.511 7 ↓

Analogs

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Popular Name: N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-3-yl)phenyl]BLAHcarboxamide N-[3-(6,7,8,9-tetrahydro-5H-[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) 4.23 11.27 -26.39 1 7 0 77 434.55 3 ↓

Analogs

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Popular Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-BLAHyl-methanone [4-[3-chloro-5-(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) 4.17 9.5 -13.17 0 6 0 54 471.917 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]BLAHcarboxamide N-[(1R)-1-(4-imidazol-1-ylphenyl…

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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) 3.02 10.85 -17.98 1 6 0 64 393.497 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]BLAHcarboxamide N-[(1S)-1-(4-imidazol-1-ylphenyl…

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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) 3.02 10.85 -17.95 1 6 0 64 393.497 4 ↓

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)BLAHcarboxamide N-(4-fluoro-2-methyl-phenyl)BLAH…

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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) 3.97 8.37 -13.82 1 4 0 46 331.397 2 ↓

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]BLAHcarboxamide N-[(2-fluorophenyl)methyl]BLAHca…

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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) 3.25 7.66 -14.15 1 4 0 46 331.397 3 ↓

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)BLAHcarboxamide N-(2,5-dimethoxyphenyl)BLAHcarbo…

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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) 3.47 6.26 -16.32 1 6 0 65 359.432 4 ↓

Analogs

25753381
25753381

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Popular Name: N-[3-(diethylcarbamoyl)phenyl]BLAHcarboxamide N-[3-(diethylcarbamoyl)phenyl]BL…

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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) 3.12 9.28 -22.43 1 6 0 67 398.513 5 ↓

Analogs

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Popular Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-BLAHyl-methanone [4-(4-tert-butylphenyl)sulfonylp…

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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) 4.48 9.49 -17.87 0 7 0 75 488.66 4 ↓

Analogs

31513169
31513169
31513172
31513172

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Popular Name: N-[2-(3,4-diethoxyphenyl)ethyl]BLAHcarboxamide N-[2-(3,4-diethoxyphenyl)ethyl]B…

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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) 3.93 9.45 -19.14 1 6 0 65 415.54 8 ↓

Analogs

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Popular Name: N-(3-cyanophenyl)BLAHcarboxamide N-(3-cyanophenyl)BLAHcarboxamide

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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) 3.16 7.89 -18.44 1 5 0 70 324.39 2 ↓

Analogs

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Popular Name: N-(3-isopropylphenyl)BLAHcarboxamide N-(3-isopropylphenyl)BLAHcarboxa…

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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) 4.92 9.43 -13.49 1 4 0 46 341.461 3 ↓

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]BLAHcarboxamide N-[2-(2-methoxyphenyl)ethyl]BLAH…

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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) 3.54 7.77 -14.73 1 5 0 56 357.46 5 ↓

Analogs

30913239
30913239

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Popular Name: [4-(2-naphthylsulfonyl)piperazin-1-yl]-BLAHyl-methanone [4-(2-naphthylsulfonyl)piperazin…

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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) 3.96 9.45 -19.34 0 7 0 75 482.612 3 ↓

Analogs

25418597
25418597

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Popular Name: N-(3-chloro-4-methoxy-phenyl)BLAHcarboxamide N-(3-chloro-4-methoxy-phenyl)BLA…

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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 7.37 -17.14 1 5 0 56 363.851 3 ↓

Analogs

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Popular Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-BLAHyl-methanone [4-(2,5-dimethylphenyl)sulfonylp…

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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) 3.60 8.06 -18.61 0 7 0 75 460.606 3 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 3.19 8.71 -13.78 1 6 0 73 371.443 6 ↓

Analogs

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Popular Name: [4-(o-tolylmethyl)piperazin-1-yl]-BLAHyl-methanone [4-(o-tolylmethyl)piperazin-1-yl…

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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) 3.67 9.67 -13.2 0 5 0 41 396.541 3 ↓
Lo Low (pH 4.5-6) 3.67 11.54 -50.87 1 5 1 42 397.549 3 ↓

Analogs

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Popular Name: [4-(m-tolylmethyl)piperazin-1-yl]-BLAHyl-methanone [4-(m-tolylmethyl)piperazin-1-yl…

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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) 3.69 9.32 -13.2 0 5 0 41 396.541 3 ↓
Lo Low (pH 4.5-6) 3.69 11.55 -51.78 1 5 1 42 397.549 3 ↓

Analogs

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Popular Name: N-([1,2,4]triazolo[4,5-a]pyridin-3-ylmethyl)BLAHcarboxamide N-([1,2,4]triazolo[4,5-a]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) 2.06 7.97 -20.46 1 7 0 77 354.42 3 ↓

Analogs

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Popular Name: N-(2-morpholino-1,3-benzothiazol-6-yl)BLAHcarboxamide N-(2-morpholino-1,3-benzothiazol…

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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) 3.91 7.21 -18.51 1 7 0 72 441.563 3 ↓

Analogs

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Popular Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-BLAHcarboxamide N-[(3-fluoro-4-methoxy-phenyl)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) 3.52 8.71 -20.63 0 5 0 47 375.45 4 ↓

Analogs

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Popular Name: N-(1-acetylindolin-5-yl)BLAHcarboxamide N-(1-acetylindolin-5-yl)BLAHcarb…

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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) 2.86 8.42 -18.48 1 6 0 67 382.47 2 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]BLAHcarboxamide N-[2-(4-chlorophenoxy)ethyl]BLAH…

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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 7.79 -14.96 1 5 0 56 377.878 5 ↓

Parameters Provided:

ring.id = 12647
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 = 12647 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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