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    Analogs

    14555481
    14555481
    14567821
    14567821
    14567823
    14567823

    Draw Identity 99% 90% 80% 70%

    Popular Name: acetamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-[2-(1-methylpropyl)phenoxy]- acetamide, N-[3-[(hexahydro-1H-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) 4.49 12.38 -23.99 1 5 0 59 408.542 7 ↓

    Analogs

    14567821
    14567821
    14567823
    14567823
    14555477
    14555477

    Draw Identity 99% 90% 80% 70%

    Popular Name: acetamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-[2-(1-methylpropyl)phenoxy]- acetamide, N-[3-[(hexahydro-1H-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) 4.49 12.39 -24.03 1 5 0 59 408.542 7 ↓

    Analogs

    33792488
    33792488

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 3.15 9.76 -15.59 1 5 0 59 352.434 5 ↓

    Analogs

    14555642
    14555642

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(2,4-dichlorophenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(2,4-dichlorophen…

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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) 4.80 11.51 -23.5 1 5 0 59 435.351 5 ↓

    Analogs

    14555638
    14555638

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(2,4-dichlorophenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(2,4-dichlorophen…

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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) 4.80 11.43 -26.47 1 5 0 59 435.351 5 ↓

    Analogs

    14555766
    14555766

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(4-methylphenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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 11.15 -22.51 1 5 0 59 380.488 5 ↓

    Analogs

    14555761
    14555761

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(4-methylphenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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 11.09 -25.28 1 5 0 59 380.488 5 ↓

    Analogs

    14555779
    14555779

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(3-methylphenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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) 3.94 11.11 -25.39 1 5 0 59 380.488 5 ↓

    Analogs

    14555774
    14555774

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(3-methylphenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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) 3.94 11.04 -25.39 1 5 0 59 380.488 5 ↓

    Analogs

    14555786
    14555786
    14556040
    14556040
    14556043
    14556043

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(2-methylphenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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 11.18 -22.3 1 5 0 59 380.488 5 ↓

    Analogs

    14556040
    14556040
    14556043
    14556043
    14555782
    14555782

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(2-methylphenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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 11.08 -24.82 1 5 0 59 380.488 5 ↓

    Analogs

    14555795
    14555795

    Draw Identity 99% 90% 80% 70%

    Popular Name: butanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(2-methylphenoxy)- butanamide, N-[3-[(hexahydro-1H-…

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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) 4.42 11.67 -22.37 1 5 0 59 394.515 6 ↓

    Analogs

    14555790
    14555790

    Draw Identity 99% 90% 80% 70%

    Popular Name: butanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(2-methylphenoxy)- butanamide, N-[3-[(hexahydro-1H-…

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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) 4.42 11.59 -21.97 1 5 0 59 394.515 6 ↓

    Analogs

    14555811
    14555811
    14555818
    14555818
    14555822
    14555822

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-phenoxy- propanamide, N-[3-[(hexahydro-1H…

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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 10.46 -22.48 1 5 0 59 366.461 5 ↓

    Analogs

    14555818
    14555818
    14555822
    14555822
    14555806
    14555806

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-phenoxy- propanamide, N-[3-[(hexahydro-1H…

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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 10.41 -25.34 1 5 0 59 366.461 5 ↓

    Analogs

    14555822
    14555822
    14555806
    14555806
    14555811
    14555811

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(4-methoxyphenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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) 3.57 9.75 -23.07 1 6 0 68 396.487 6 ↓

    Analogs

    14555806
    14555806
    14555811
    14555811
    14555818
    14555818

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(4-methoxyphenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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) 3.57 9.69 -25.64 1 6 0 68 396.487 6 ↓

    Analogs

    14555830
    14555830

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(2-methoxyphenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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) 3.13 10.17 -29.27 1 6 0 68 396.487 6 ↓

    Analogs

    14555826
    14555826

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(2-methoxyphenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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) 3.13 10.12 -29.16 1 6 0 68 396.487 6 ↓

    Analogs

    14555838
    14555838

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(4-chlorophenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(4-chlorophenoxy)…

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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 10.98 -21.66 1 5 0 59 400.906 5 ↓

    Analogs

    14555835
    14555835

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(4-chlorophenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(4-chlorophenoxy)…

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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 10.92 -24.27 1 5 0 59 400.906 5 ↓

    Analogs

    14555847
    14555847

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-[3-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide (2S)-N-[3-(azepane-1-carbonyl)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) 4.34 11.82 -24.62 1 5 0 59 394.515 5 ↓

    Analogs

    14555843
    14555843

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-[3-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide (2R)-N-[3-(azepane-1-carbonyl)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) 4.34 11.78 -24.79 1 5 0 59 394.515 5 ↓

    Analogs

    14555868
    14555868

    Draw Identity 99% 90% 80% 70%

    Popular Name: butanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(4-methylphenoxy)- butanamide, N-[3-[(hexahydro-1H-…

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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 11.63 -22.53 1 5 0 59 394.515 6 ↓

    Analogs

    14555865
    14555865

    Draw Identity 99% 90% 80% 70%

    Popular Name: butanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(4-methylphenoxy)- butanamide, N-[3-[(hexahydro-1H-…

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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 11.59 -24.85 1 5 0 59 394.515 6 ↓

    Analogs

    14555887
    14555887

    Draw Identity 99% 90% 80% 70%

    Popular Name: butanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(3-methylphenoxy)- butanamide, N-[3-[(hexahydro-1H-…

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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) 4.44 11.61 -25.15 1 5 0 59 394.515 6 ↓

    Analogs

    14555883
    14555883

    Draw Identity 99% 90% 80% 70%

    Popular Name: butanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(3-methylphenoxy)- butanamide, N-[3-[(hexahydro-1H-…

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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) 4.44 11.59 -25.17 1 5 0 59 394.515 6 ↓

    Analogs

    14555897
    14555897

    Draw Identity 99% 90% 80% 70%

    Popular Name: butanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-phenoxy- butanamide, N-[3-[(hexahydro-1H-…

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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) 4.02 10.94 -24.91 1 5 0 59 380.488 6 ↓

    Analogs

    14555891
    14555891

    Draw Identity 99% 90% 80% 70%

    Popular Name: butanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-phenoxy- butanamide, N-[3-[(hexahydro-1H-…

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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) 4.02 10.92 -24.92 1 5 0 59 380.488 6 ↓

    Analogs

    14555912
    14555912

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(2-chlorophenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(2-chlorophenoxy)…

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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 11 -24.55 1 5 0 59 400.906 5 ↓

    Analogs

    14555908
    14555908

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(2-chlorophenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(2-chlorophenoxy)…

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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 10.9 -25.16 1 5 0 59 400.906 5 ↓

    Analogs

    14555947
    14555947

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(2-nitrophenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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 11.61 -34.16 1 8 0 104 411.458 6 ↓

    Analogs

    14555944
    14555944

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(2-nitrophenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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 11.52 -35.28 1 8 0 104 411.458 6 ↓

    Analogs

    14555978
    14555978

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(4-nitrophenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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) 3.48 11.13 -24.92 1 8 0 104 411.458 6 ↓

    Analogs

    14555973
    14555973

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(4-nitrophenoxy)- propanamide, N-[3-[(hexahydro-1H…

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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) 3.48 11.08 -27.3 1 8 0 104 411.458 6 ↓

    Analogs

    14556002
    14556002

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(4-ethylphenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(4-ethylphenoxy)-…

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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 11.88 -24.9 1 5 0 59 394.515 6 ↓

    Analogs

    14555998
    14555998

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(4-ethylphenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(4-ethylphenoxy)-…

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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 11.81 -24.85 1 5 0 59 394.515 6 ↓

    Analogs

    14556010
    14556010
    14556140
    14556140
    14556144
    14556144

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-[4-(1-methylethyl)phenoxy]- propanamide, N-[3-[(hexahydro-1H…

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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) 5.03 12.49 -17.74 1 5 0 59 408.542 6 ↓

    Analogs

    14556140
    14556140
    14556144
    14556144
    14556006
    14556006

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-[4-(1-methylethyl)phenoxy]- propanamide, N-[3-[(hexahydro-1H…

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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) 5.03 12.53 -17.8 1 5 0 59 408.542 6 ↓

    Analogs

    14556043
    14556043
    14555782
    14555782
    14555786
    14555786

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(2,6-dimethylphenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(2,6-dimethylphen…

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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) 4.32 11.67 -23.23 1 5 0 59 394.515 5 ↓

    Analogs

    14555782
    14555782
    14555786
    14555786
    14556040
    14556040

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(2,6-dimethylphenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(2,6-dimethylphen…

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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) 4.32 11.68 -23.39 1 5 0 59 394.515 5 ↓

    Analogs

    14556062
    14556062

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(4-bromo-2,6-dime…

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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) 5.08 12.34 -19.68 1 5 0 59 473.411 5 ↓

    Analogs

    14556058
    14556058

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(4-bromo-2,6-dime…

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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) 5.08 12.3 -21.84 1 5 0 59 473.411 5 ↓

    Analogs

    14556070
    14556070

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(2-bromo-4-chlorophenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(2-bromo-4-chloro…

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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) 4.93 11.62 -23.27 1 5 0 59 479.802 5 ↓

    Analogs

    14556066
    14556066

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-(2-bromo-4-chlorophenoxy)-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-(2-bromo-4-chloro…

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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) 4.93 11.54 -26.16 1 5 0 59 479.802 5 ↓

    Analogs

    14556144
    14556144
    14556006
    14556006
    14556010
    14556010

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-[4-(1,1-dimethylethyl)phenoxy]-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-[4-(1,1-dimethyle…

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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 12.78 -22.02 1 5 0 59 422.569 6 ↓

    Analogs

    14556006
    14556006
    14556010
    14556010
    14556140
    14556140

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, 2-[4-(1,1-dimethylethyl)phenoxy]-N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, 2-[4-(1,1-dimethyle…

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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 12.73 -24.82 1 5 0 59 422.569 6 ↓

    Analogs

    14556204
    14556204
    14556208
    14556208
    14556212
    14556212
    14568173
    14568173
    14568176
    14568176

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-[2-(1-methylpropyl)phenoxy]- propanamide, N-[3-[(hexahydro-1H…

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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) 4.85 13.02 -24.65 1 5 0 59 422.569 7 ↓

    Analogs

    14556208
    14556208
    14556212
    14556212
    14568173
    14568173
    14568176
    14568176
    14568177
    14568177

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-[2-(1-methylpropyl)phenoxy]- propanamide, N-[3-[(hexahydro-1H…

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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) 4.85 13.02 -24.66 1 5 0 59 422.569 7 ↓

    Analogs

    14556212
    14556212
    14568173
    14568173
    14568176
    14568176
    14568177
    14568177
    14568179
    14568179

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-[2-(1-methylpropyl)phenoxy]- propanamide, N-[3-[(hexahydro-1H…

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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) 4.85 12.99 -24.82 1 5 0 59 422.569 7 ↓

    Parameters Provided:

    ring.id = 246556
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 = 246556 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=246556&filter.purchasability=annotated

    Embed Link to Results

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