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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aR,10R)-2-allyl-10-(1,3-benzodioxol-5-yl)-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3 (3aR,10R)-2-allyl-10-(1,3-benzod…

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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 10.5 -12.2 1 6 0 58 417.49 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aR,10S)-2-allyl-10-(1,3-benzodioxol-5-yl)-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3 (3aR,10S)-2-allyl-10-(1,3-benzod…

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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 -1.74 -11.76 1 6 0 57 417.49 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3aR,10R)-3-keto-10-phenyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-2-yl]benzoic-ac 4-[(3aR,10R)-3-keto-10-phenyl-1-…

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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) 5.42 14.57 -13.2 1 6 0 66 467.55 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3aS,10S)-3-keto-10-phenyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-2-yl]benzoic-ac 4-[(3aS,10S)-3-keto-10-phenyl-1-…

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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) 5.42 14.39 -13.44 1 6 0 66 467.55 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3aS,10R)-3-keto-10-phenyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-2-yl]benzoic-ac 4-[(3aS,10R)-3-keto-10-phenyl-1-…

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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) 5.42 15.07 -13.39 1 6 0 66 467.55 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aR,10R)-10-methyl-2-o-phenetyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aR,10R)-10-methyl-2-o-phenetyl…

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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 -1.2 -14.3 1 5 0 48 391.496 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aR,10S)-10-methyl-2-o-phenetyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aR,10S)-10-methyl-2-o-phenetyl…

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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 -1.04 -14.32 1 5 0 48 391.496 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aS,10R)-10-methyl-2-o-phenetyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aS,10R)-10-methyl-2-o-phenetyl…

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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 -1.04 -14.62 1 5 0 48 391.496 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aS,10S)-10-methyl-2-o-phenetyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aS,10S)-10-methyl-2-o-phenetyl…

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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 -1.26 -14.2 1 5 0 48 391.496 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3aR)-3-keto-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-2-yl]benzoic-acid-methyl-este 4-[(3aR)-3-keto-1-thioxo-3a,4,9,…

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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) 3.65 -0.57 -14.44 1 6 0 65 391.452 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3aS)-3-keto-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-2-yl]benzoic-acid-methyl-este 4-[(3aS)-3-keto-1-thioxo-3a,4,9,…

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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) 3.65 -0.56 -14.95 1 6 0 65 391.452 3 ↓

    Analogs

    16028521
    16028521
    16028523
    16028523

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aS,10S)-2-allyl-10-(3,4-dimethoxyphenyl)-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3- (3aS,10S)-2-allyl-10-(3,4-dimeth…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.85 -0.66 -13.34 1 6 0 57 433.533 5 ↓

    Analogs

    16028521
    16028521
    16028523
    16028523

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aS,10R)-2-allyl-10-(3,4-dimethoxyphenyl)-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3- (3aS,10R)-2-allyl-10-(3,4-dimeth…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.85 -0.55 -12.6 1 6 0 57 433.533 5 ↓

    Analogs

    3973120
    3973120

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-butyl-5-(4-methoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[5',1':6,1]pyrido[3,4-b]indol-1-one 2-butyl-5-(4-methoxyphenyl)-3-th…

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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) 5.05 -1.14 -10.41 1 5 0 48 419.55 5 ↓

    Analogs

    3973120
    3973120

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-butyl-5-(4-methoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[5',1':6,1]pyrido[3,4-b]indol-1-one 2-butyl-5-(4-methoxyphenyl)-3-th…

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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) 5.05 -1.17 -10.28 1 5 0 48 419.55 5 ↓

    Analogs

    2797515
    2797515
    2797516
    2797516
    2797517
    2797517
    2797518
    2797518

    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) 4.95 -1.23 -9.39 1 4 0 39 423.541 3 ↓

    Analogs

    2797515
    2797515
    2797516
    2797516
    2797517
    2797517
    2797518
    2797518

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 4.95 -1.12 -9.25 1 4 0 39 423.541 3 ↓

    Analogs

    2797515
    2797515
    2797516
    2797516
    2797517
    2797517
    2797518
    2797518

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 4.95 -1.12 -9.24 1 4 0 39 423.541 3 ↓

    Analogs

    2146553
    2146553
    2146555
    2146555
    2146558
    2146558
    2146561
    2146561
    2797515
    2797515

    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) 4.95 -1.25 -9.57 1 4 0 39 423.541 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aR)-2-butyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aR)-2-butyl-1-thioxo-3a,4,9,10…

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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 9.95 -10.31 1 4 0 39 313.426 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aS)-2-butyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aS)-2-butyl-1-thioxo-3a,4,9,10…

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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 9.96 -10.18 1 4 0 39 313.426 3 ↓

    Analogs

    2797516
    2797516
    2797517
    2797517
    2797518
    2797518
    6379268
    6379268
    6379270
    6379270

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aR,10R)-2-ethyl-10-phenyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aR,10R)-2-ethyl-10-phenyl-1-th…

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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 -1.42 -9.66 1 4 0 39 361.47 2 ↓

    Analogs

    2797517
    2797517
    2797518
    2797518
    6379268
    6379268
    6379270
    6379270
    6379283
    6379283

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aR,10S)-2-ethyl-10-phenyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aR,10S)-2-ethyl-10-phenyl-1-th…

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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 -1.35 -9.61 1 4 0 39 361.47 2 ↓

    Analogs

    2797518
    2797518
    6379268
    6379268
    6379270
    6379270
    6379283
    6379283
    6379284
    6379284

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aS,10R)-2-ethyl-10-phenyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aS,10R)-2-ethyl-10-phenyl-1-th…

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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 -1.34 -9.47 1 4 0 39 361.47 2 ↓

    Analogs

    6379268
    6379268
    6379270
    6379270
    6379283
    6379283
    6379284
    6379284
    189650
    189650

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aS,10S)-2-ethyl-10-phenyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aS,10S)-2-ethyl-10-phenyl-1-th…

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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 -1.47 -9.65 1 4 0 39 361.47 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aS,10S)-2-(4-chlorophenyl)-10-methyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aS,10S)-2-(4-chlorophenyl)-10-…

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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) 4.71 -1.58 -10.45 1 4 0 39 381.888 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aS,10R)-2-(4-chlorophenyl)-10-methyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aS,10R)-2-(4-chlorophenyl)-10-…

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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) 4.71 -1.36 -10.87 1 4 0 39 381.888 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aR,10S)-2-(4-chlorophenyl)-10-methyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aR,10S)-2-(4-chlorophenyl)-10-…

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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) 4.71 -1.36 -10.81 1 4 0 39 381.888 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aR,10R)-2-(4-chlorophenyl)-10-methyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aR,10R)-2-(4-chlorophenyl)-10-…

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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) 4.71 -1.55 -10.5 1 4 0 39 381.888 1 ↓

    Analogs

    1323162
    1323162
    1323163
    1323163

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aS,10S)-10-(3,4-dimethoxyphenyl)-2-phenyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3 (3aS,10S)-10-(3,4-dimethoxypheny…

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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 13.1 -16.17 1 6 0 58 469.566 4 ↓

    Analogs

    1323162
    1323162
    1323163
    1323163

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aS,10R)-10-(3,4-dimethoxyphenyl)-2-phenyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3 (3aS,10R)-10-(3,4-dimethoxypheny…

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    Activity (Go SEA)

    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 13.62 -15.07 1 6 0 58 469.566 4 ↓

    Analogs

    1323162
    1323162
    1323163
    1323163

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aR,10S)-10-(3,4-dimethoxyphenyl)-2-phenyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3 (3aR,10S)-10-(3,4-dimethoxypheny…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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 13.55 -15.04 1 6 0 58 469.566 4 ↓

    Analogs

    1323162
    1323162
    1323163
    1323163

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3aR,10R)-10-(3,4-dimethoxyphenyl)-2-phenyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3 (3aR,10R)-10-(3,4-dimethoxypheny…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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 13.1 -15.43 1 6 0 58 469.566 4 ↓

    Parameters Provided:

    ring.id = 231125
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 = 231125 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=231125&filter.purchasability=annotated

    Embed Link to Results

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