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Popular Name: dibutyl-methyl-oxo-BLAHcarbonitrile dibutyl-methyl-oxo-BLAHcarbonitrile

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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) 5.35 12.82 -13.38 0 5 0 64 392.499 6 ↓

Analogs

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Popular Name: 2-[4-(benzyl-dimethoxy-methyl-oxo-BLAHyl)butyl]isoindoline-1,3-dione 2-[4-(benzyl-dimethoxy-methyl-ox…

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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) 5.72 15.54 -25.03 0 9 0 98 606.675 9 ↓

Analogs

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Popular Name: benzyl-[4-(1,3-dioxoisoindolin-2-yl)butyl]-methyl-oxo-BLAHcarbonitrile benzyl-[4-(1,3-dioxoisoindolin-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) 5.83 16.73 -21.8 0 8 0 103 571.633 7 ↓

Analogs

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Popular Name: 2-[4-(butyl-methyl-oxo-BLAHyl)butyl]isoindoline-1,3-dione 2-[4-(butyl-methyl-oxo-BLAHyl)bu…

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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) 5.94 15.01 -21.25 0 7 0 80 512.606 8 ↓

Analogs

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Popular Name: benzyl-dimethoxy-(4-methoxyphenyl)-methyl-BLAHone benzyl-dimethoxy-(4-methoxypheny…

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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) 5.11 12.91 -19.05 0 7 0 68 511.574 6 ↓

Analogs

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Popular Name: benzyl-dimethoxy-methyl-(3-thienyl)BLAHone benzyl-dimethoxy-methyl-(3-thien…

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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) 4.64 12.55 -18.1 0 6 0 59 487.577 5 ↓

Analogs

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Popular Name: benzyl-methyl-oxo-(3-thienyl)BLAHcarbonitrile benzyl-methyl-oxo-(3-thienyl)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) 4.75 13.74 -15.01 0 5 0 64 452.535 3 ↓

Analogs

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Popular Name: benzyl-methyl-(3-thienyl)BLAHone benzyl-methyl-(3-thienyl)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) 5.02 13.36 -16.01 0 4 0 40 427.525 3 ↓

Analogs

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Popular Name: butyl-methyl-oxo-phenyl-BLAHcarbonitrile butyl-methyl-oxo-phenyl-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) 5.19 13.8 -13.49 0 5 0 64 412.489 4 ↓

Analogs

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Popular Name: benzyl-(4-methoxyphenyl)-methyl-oxo-BLAHcarbonitrile benzyl-(4-methoxyphenyl)-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) 5.22 14.1 -16.02 0 6 0 73 476.532 4 ↓

Analogs

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Popular Name: methyl-phenyl-(3-thienyl)BLAHone methyl-phenyl-(3-thienyl)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) 4.70 12.93 -14.47 0 4 0 40 413.498 2 ↓

Analogs

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Popular Name: butyl-methyl-(3-thienyl)BLAHone butyl-methyl-(3-thienyl)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) 4.86 12.02 -14.63 0 4 0 40 393.508 4 ↓

Analogs

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Popular Name: methyl-oxo-phenyl-(3-thienyl)BLAHcarbonitrile methyl-oxo-phenyl-(3-thienyl)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) 4.43 13.32 -13.63 0 5 0 64 438.508 2 ↓

Analogs

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Popular Name: dimethoxy-methyl-pentyl-phenyl-BLAHone dimethoxy-methyl-pentyl-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) 5.59 13.38 -16.62 0 6 0 59 461.558 7 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-methyl-oxo-phenyl-BLAHcarbonitrile (4-methoxyphenyl)-methyl-oxo-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) 4.90 13.68 -14.61 0 6 0 73 462.505 3 ↓

Analogs

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Popular Name: benzyl-(4-methoxyphenyl)-methyl-BLAHone benzyl-(4-methoxyphenyl)-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) 5.49 13.73 -16.93 0 5 0 50 451.522 4 ↓

Analogs

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Popular Name: 2-[4-(dimethoxy-methyl-oxo-phenyl-BLAHyl)butyl]isoindoline-1,3-dione 2-[4-(dimethoxy-methyl-oxo-pheny…

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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) 5.40 15.12 -23.77 0 9 0 98 592.648 8 ↓

Analogs

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Popular Name: butyl-dimethoxy-methyl-(3-thienyl)BLAHone butyl-dimethoxy-methyl-(3-thieny…

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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 11.21 -16.82 0 6 0 59 453.56 6 ↓

Parameters Provided:

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