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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: [4-methoxy-3-(methoxymethyl)phenyl]BLAHone [4-methoxy-3-(methoxymethyl)phen…

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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) 2.29 6.29 -12.33 1 6 0 65 351.406 4 ↓
Mid Mid (pH 6-8) 2.29 6.73 -37.21 2 6 1 66 352.414 4 ↓

Analogs

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Popular Name: [4-methoxy-3-(methoxymethyl)phenyl]BLAHone [4-methoxy-3-(methoxymethyl)phen…

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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) 2.29 6.29 -12.35 1 6 0 65 351.406 4 ↓
Mid Mid (pH 6-8) 2.29 6.73 -37.21 2 6 1 66 352.414 4 ↓

Analogs

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Popular Name: [1-(2-chlorophenyl)pyrazol-4-yl]BLAHone [1-(2-chlorophenyl)pyrazol-4-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) 2.85 8.96 -15.77 1 6 0 64 377.835 2 ↓
Mid Mid (pH 6-8) 2.85 9.4 -40.06 2 6 1 65 378.843 2 ↓

Analogs

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Popular Name: [1-(2-chlorophenyl)pyrazol-4-yl]BLAHone [1-(2-chlorophenyl)pyrazol-4-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) 2.85 8.96 -15.73 1 6 0 64 377.835 2 ↓
Mid Mid (pH 6-8) 2.85 9.4 -40.09 2 6 1 65 378.843 2 ↓

Analogs

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Popular Name: (2,2-dimethyl-3H-benzofuran-5-yl)BLAHone (2,2-dimethyl-3H-benzofuran-5-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) 3.19 8.29 -12.72 1 5 0 56 347.418 1 ↓
Mid Mid (pH 6-8) 3.19 8.74 -38.09 2 5 1 57 348.426 1 ↓

Analogs

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Popular Name: (2,2-dimethyl-3H-benzofuran-5-yl)BLAHone (2,2-dimethyl-3H-benzofuran-5-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) 3.19 8.3 -12.56 1 5 0 56 347.418 1 ↓
Mid Mid (pH 6-8) 3.19 8.74 -37.46 2 5 1 57 348.426 1 ↓

Analogs

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Popular Name: [2-(m-tolyl)pyrimidin-5-yl]BLAHone [2-(m-tolyl)pyrimidin-5-yl]BLAHone

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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) 2.79 8.91 -13.54 1 6 0 72 369.428 2 ↓
Mid Mid (pH 6-8) 2.79 9.35 -40.49 2 6 1 73 370.436 2 ↓

Analogs

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Popular Name: [2-(m-tolyl)pyrimidin-5-yl]BLAHone [2-(m-tolyl)pyrimidin-5-yl]BLAHone

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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) 2.79 8.91 -13.54 1 6 0 72 369.428 2 ↓
Mid Mid (pH 6-8) 2.79 9.35 -40.56 2 6 1 73 370.436 2 ↓

Analogs

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Popular Name: [4-(2-pyridylmethoxy)phenyl]BLAHone [4-(2-pyridylmethoxy)phenyl]BLAHone

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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) 2.84 8.63 -14.02 1 6 0 69 384.439 4 ↓
Mid Mid (pH 6-8) 2.84 9.08 -38.83 2 6 1 70 385.447 4 ↓

Analogs

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Popular Name: [4-(2-pyridylmethoxy)phenyl]BLAHone [4-(2-pyridylmethoxy)phenyl]BLAHone

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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) 2.84 8.64 -14.06 1 6 0 69 384.439 4 ↓
Mid Mid (pH 6-8) 2.84 9.08 -38.85 2 6 1 70 385.447 4 ↓

Analogs

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Popular Name: (4-pyrimidin-2-yloxyphenyl)BLAHone (4-pyrimidin-2-yloxyphenyl)BLAHone

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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) 2.29 5.4 -17.35 1 7 0 81 371.4 3 ↓
Mid Mid (pH 6-8) 2.29 5.84 -43.91 2 7 1 83 372.408 3 ↓

Analogs

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Popular Name: (4-pyrimidin-2-yloxyphenyl)BLAHone (4-pyrimidin-2-yloxyphenyl)BLAHone

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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) 2.29 5.41 -17.27 1 7 0 81 371.4 3 ↓
Mid Mid (pH 6-8) 2.29 5.85 -42.41 2 7 1 83 372.408 3 ↓

Analogs

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Popular Name: (3-ethylisoxazol-5-yl)-methyl-BLAHone (3-ethylisoxazol-5-yl)-methyl-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) 2.27 6.82 -36.81 2 6 1 74 311.365 2 ↓
Mid Mid (pH 6-8) 2.27 6.38 -14.25 1 6 0 72 310.357 2 ↓

Analogs

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Popular Name: (3-ethylisoxazol-5-yl)-methyl-BLAHone (3-ethylisoxazol-5-yl)-methyl-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) 2.27 7.07 -43.88 2 6 1 74 311.365 2 ↓
Mid Mid (pH 6-8) 2.27 6.63 -20.39 1 6 0 72 310.357 2 ↓

Analogs

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Popular Name: (5-chloro-2,3-dimethoxy-phenyl)BLAHone (5-chloro-2,3-dimethoxy-phenyl)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) 2.81 6.79 -12.78 1 6 0 65 371.824 3 ↓
Mid Mid (pH 6-8) 2.81 7.23 -39.15 2 6 1 66 372.832 3 ↓

Analogs

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Popular Name: (5-chloro-2,3-dimethoxy-phenyl)BLAHone (5-chloro-2,3-dimethoxy-phenyl)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) 2.81 6.93 -11.81 1 6 0 65 371.824 3 ↓
Mid Mid (pH 6-8) 2.81 7.37 -36.45 2 6 1 66 372.832 3 ↓

Analogs

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Popular Name: ethyl(methyl)BLAHone ethyl(methyl)BLAHone

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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 5.94 -33.42 2 4 1 48 244.318 1 ↓
Mid Mid (pH 6-8) 2.04 5.49 -11.25 1 4 0 46 243.31 1 ↓

Analogs

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Popular Name: ethyl(methyl)BLAHone ethyl(methyl)BLAHone

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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 5.94 -33.41 2 4 1 48 244.318 1 ↓
Mid Mid (pH 6-8) 2.04 5.49 -11.24 1 4 0 46 243.31 1 ↓

Analogs

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Popular Name: (4-methoxy-2,5-dimethyl-phenyl)BLAHone (4-methoxy-2,5-dimethyl-phenyl)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) 3.17 7.61 -11.65 1 5 0 56 335.407 2 ↓
Mid Mid (pH 6-8) 3.17 8.05 -36.31 2 5 1 57 336.415 2 ↓

Analogs

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Popular Name: (4-methoxy-2,5-dimethyl-phenyl)BLAHone (4-methoxy-2,5-dimethyl-phenyl)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) 3.17 7.6 -11.63 1 5 0 56 335.407 2 ↓
Mid Mid (pH 6-8) 3.17 8.04 -36.43 2 5 1 57 336.415 2 ↓

Analogs

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Popular Name: [2-(benzylamino)pyrimidin-5-yl]BLAHone [2-(benzylamino)pyrimidin-5-yl]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) 2.24 9.27 -12.93 2 7 0 84 384.443 4 ↓
Mid Mid (pH 6-8) 2.24 9.71 -39.11 3 7 1 85 385.451 4 ↓

Analogs

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Popular Name: [2-(benzylamino)pyrimidin-5-yl]BLAHone [2-(benzylamino)pyrimidin-5-yl]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) 2.24 9.27 -12.95 2 7 0 84 384.443 4 ↓
Mid Mid (pH 6-8) 2.24 9.71 -39.08 3 7 1 85 385.451 4 ↓

Analogs

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Popular Name: (5-butyl-2-thienyl)-methyl-BLAHone (5-butyl-2-thienyl)-methyl-BLAHone

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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) 4.51 10.15 -10.48 1 4 0 46 353.491 4 ↓
Mid Mid (pH 6-8) 4.51 10.59 -33.49 2 4 1 48 354.499 4 ↓

Analogs

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Popular Name: (5-butyl-2-thienyl)-methyl-BLAHone (5-butyl-2-thienyl)-methyl-BLAHone

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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) 4.51 10.15 -10.46 1 4 0 46 353.491 4 ↓
Mid Mid (pH 6-8) 4.51 10.59 -33.38 2 4 1 48 354.499 4 ↓

Analogs

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Popular Name: (6-methoxyindan-5-yl)-methyl-BLAHone (6-methoxyindan-5-yl)-methyl-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) 3.16 8.99 -12.46 1 5 0 56 361.445 2 ↓
Mid Mid (pH 6-8) 3.16 9.44 -34.08 2 5 1 57 362.453 2 ↓

Analogs

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Popular Name: (6-methoxyindan-5-yl)-methyl-BLAHone (6-methoxyindan-5-yl)-methyl-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) 3.16 8.93 -12.56 1 5 0 56 361.445 2 ↓
Mid Mid (pH 6-8) 3.16 9.38 -34.31 2 5 1 57 362.453 2 ↓

Analogs

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Popular Name: (3-chloro-5-fluoro-4-methoxy-phenyl)-methyl-BLAHone (3-chloro-5-fluoro-4-methoxy-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) 3.51 8.15 -38.77 2 5 1 57 374.823 2 ↓
Mid Mid (pH 6-8) 3.51 7.7 -12.28 1 5 0 56 373.815 2 ↓

Analogs

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Popular Name: (3-chloro-5-fluoro-4-methoxy-phenyl)-methyl-BLAHone (3-chloro-5-fluoro-4-methoxy-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) 3.51 8.09 -38.18 2 5 1 57 374.823 2 ↓
Mid Mid (pH 6-8) 3.51 7.64 -12.09 1 5 0 56 373.815 2 ↓

Analogs

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Popular Name: (1-allyl-3,5-dimethyl-pyrazol-4-yl)-methyl-BLAHone (1-allyl-3,5-dimethyl-pyrazol-4-…

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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) 2.22 8.12 -35.82 2 6 1 65 350.446 3 ↓
Mid Mid (pH 6-8) 2.22 7.67 -12.73 1 6 0 64 349.438 3 ↓

Analogs

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Popular Name: (1-allyl-3,5-dimethyl-pyrazol-4-yl)-methyl-BLAHone (1-allyl-3,5-dimethyl-pyrazol-4-…

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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) 2.22 7.95 -36.94 2 6 1 65 350.446 3 ↓
Mid Mid (pH 6-8) 2.22 7.5 -13.58 1 6 0 64 349.438 3 ↓

Analogs

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Popular Name: methyl-(3-pyrazol-1-ylphenyl)BLAHone methyl-(3-pyrazol-1-ylphenyl)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) 2.67 8.89 -15.26 1 6 0 64 357.417 2 ↓
Mid Mid (pH 6-8) 2.67 9.34 -40.32 2 6 1 65 358.425 2 ↓

Analogs

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Popular Name: methyl-(3-pyrazol-1-ylphenyl)BLAHone methyl-(3-pyrazol-1-ylphenyl)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) 2.67 8.91 -15.14 1 6 0 64 357.417 2 ↓
Mid Mid (pH 6-8) 2.67 9.36 -40.16 2 6 1 65 358.425 2 ↓

Analogs

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Popular Name: (2-isopropyloxazol-4-yl)-methyl-BLAHone (2-isopropyloxazol-4-yl)-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) 2.56 4.41 -12.01 1 6 0 72 324.384 2 ↓
Mid Mid (pH 6-8) 2.56 4.85 -38.64 2 6 1 74 325.392 2 ↓

Analogs

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Popular Name: (2-isopropyloxazol-4-yl)-methyl-BLAHone (2-isopropyloxazol-4-yl)-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) 2.56 4.42 -12.04 1 6 0 72 324.384 2 ↓
Mid Mid (pH 6-8) 2.56 4.86 -38.61 2 6 1 74 325.392 2 ↓

Analogs

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Popular Name: (2-ethylphenyl)BLAHone (2-ethylphenyl)BLAHone

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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) 3.22 8.23 -10.74 1 4 0 46 305.381 2 ↓
Mid Mid (pH 6-8) 3.22 8.67 -34.7 2 4 1 48 306.389 2 ↓

Analogs

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Popular Name: (2-ethylphenyl)BLAHone (2-ethylphenyl)BLAHone

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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) 3.22 8.05 -10.57 1 4 0 46 305.381 2 ↓
Mid Mid (pH 6-8) 3.22 8.49 -34.73 2 4 1 48 306.389 2 ↓

Analogs

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Popular Name: [5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]BLAHone [5-(3-hydroxy-3-methyl-but-1-yny…

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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 6.71 -14.95 2 5 0 67 365.458 1 ↓
Mid Mid (pH 6-8) 2.87 7.15 -38.34 3 5 1 68 366.466 1 ↓

Analogs

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Popular Name: [5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]BLAHone [5-(3-hydroxy-3-methyl-but-1-yny…

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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 6.71 -14.73 2 5 0 67 365.458 1 ↓
Mid Mid (pH 6-8) 2.87 7.16 -38.36 3 5 1 68 366.466 1 ↓

Analogs

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Popular Name: (2-fluoro-5-methyl-phenyl)-methyl-BLAHone (2-fluoro-5-methyl-phenyl)-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) 3.30 8.39 -12.24 1 4 0 46 323.371 1 ↓
Mid Mid (pH 6-8) 3.30 8.83 -36.65 2 4 1 48 324.379 1 ↓

Analogs

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Popular Name: (2-fluoro-5-methyl-phenyl)-methyl-BLAHone (2-fluoro-5-methyl-phenyl)-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) 3.30 8.39 -12.22 1 4 0 46 323.371 1 ↓
Mid Mid (pH 6-8) 3.30 8.83 -36.63 2 4 1 48 324.379 1 ↓

Analogs

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Popular Name: [5-(3-chlorophenyl)-2-furyl]BLAHone [5-(3-chlorophenyl)-2-furyl]BLAHone

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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) 4.18 9.6 -14.28 1 5 0 60 377.831 2 ↓
Mid Mid (pH 6-8) 4.18 10.05 -36.33 2 5 1 61 378.839 2 ↓

Analogs

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Popular Name: [5-(3-chlorophenyl)-2-furyl]BLAHone [5-(3-chlorophenyl)-2-furyl]BLAHone

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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) 4.18 9.87 -18.57 1 5 0 60 377.831 2 ↓
Mid Mid (pH 6-8) 4.18 10.31 -40.93 2 5 1 61 378.839 2 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzodioxin-6-yl(methyl)BLAHone 2,3-dihydro-1,4-benzodioxin-6-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) 2.26 7.31 -37.19 2 6 1 66 350.398 1 ↓
Mid Mid (pH 6-8) 2.26 6.87 -12.9 1 6 0 65 349.39 1 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzodioxin-6-yl(methyl)BLAHone 2,3-dihydro-1,4-benzodioxin-6-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) 2.26 7.32 -37.18 2 6 1 66 350.398 1 ↓
Mid Mid (pH 6-8) 2.26 6.88 -12.96 1 6 0 65 349.39 1 ↓

Analogs

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Popular Name: N-{3-chloro-4-[(5-chloro-8-quinolinyl)oxy]phenyl}-4-nitrobenzamide N-{3-chloro-4-[(5-chloro-8-quino…

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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 5.87 -33.25 2 4 1 48 244.318 1 ↓
Mid Mid (pH 6-8) 2.04 5.43 -11.34 1 4 0 46 243.31 1 ↓

Analogs

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Popular Name: (2-{[4-(diethylamino)benzylidene]amino}-5-methylphenyl)(phenyl)methanone (2-{[4-(diethylamino)benzylidene…

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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 5.87 -33.26 2 4 1 48 244.318 1 ↓
Mid Mid (pH 6-8) 2.04 5.43 -11.33 1 4 0 46 243.31 1 ↓

Analogs

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Popular Name: (3,5-dimethoxyphenyl)-methyl-BLAHone (3,5-dimethoxyphenyl)-methyl-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) 2.80 6.31 -12.84 1 6 0 65 351.406 3 ↓
Mid Mid (pH 6-8) 2.80 6.75 -35.7 2 6 1 66 352.414 3 ↓

Analogs

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Popular Name: (3,5-dimethoxyphenyl)-methyl-BLAHone (3,5-dimethoxyphenyl)-methyl-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) 2.80 6.33 -12.84 1 6 0 65 351.406 3 ↓
Mid Mid (pH 6-8) 2.80 6.77 -35.72 2 6 1 66 352.414 3 ↓

Analogs

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Popular Name: 2',6'-ditert-butyl-2-(4-nitrophenyl)-3,4-dihydrospiro(2H-[1,4]benzoxazine-3,4'-[2,5]cyclohexadiene)-1'-one 2',6'-ditert-butyl-2-(4-nitrophe…

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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 9.08 -36.78 2 4 1 48 306.389 3 ↓
Mid Mid (pH 6-8) 3.08 8.63 -12.48 1 4 0 46 305.381 3 ↓

Analogs

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Popular Name: 5-({2-chloro-5-nitrobenzylidene}amino)-1H-indazole 5-({2-chloro-5-nitrobenzylidene}…

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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 9.08 -36.73 2 4 1 48 306.389 3 ↓
Mid Mid (pH 6-8) 3.08 8.64 -12.49 1 4 0 46 305.381 3 ↓

Parameters Provided:

ring.id = 398140
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 = 398140 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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