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

    Analogs

    35633350
    35633350
    12297137
    12297137
    12297136
    12297136

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1R,4aR,10aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-5-amino 1-[[(1R,4aR,10aS)-7-isopropyl-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) 4.93 14.57 -15.34 2 4 0 59 477.718 4 ↓

    Analogs

    12297137
    12297137
    12297136
    12297136
    35633348
    35633348

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1S,4aR,10aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-5-amino 1-[[(1S,4aR,10aS)-7-isopropyl-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) 4.93 14.52 -16.08 2 4 0 59 477.718 4 ↓

    Analogs

    35633354
    35633354
    12296896
    12296896
    12296895
    12296895

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1R,4aR,10aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-5-amino 1-[[(1R,4aR,10aS)-7-isopropyl-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) 4.70 13.5 -18.27 2 4 0 59 463.691 4 ↓

    Analogs

    12296896
    12296896
    12296895
    12296895
    35633352
    35633352

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[[(1S,4aR,10aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-5-amino 1-[[(1S,4aR,10aS)-7-isopropyl-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) 4.70 13.45 -19.15 2 4 0 59 463.691 4 ↓

    Analogs

    9678884
    9678884

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-[[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamin (3S)-3-[[(1R,4aS,10aR)-7-isoprop…

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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) 7.58 15.91 -59.49 2 4 1 46 505.767 6 ↓

    Analogs

    9678884
    9678884

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-[[(1R,4aR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamin (3S)-3-[[(1R,4aR,10aR)-7-isoprop…

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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) 7.58 15.42 -55.84 2 4 1 46 505.767 6 ↓

    Analogs

    9678884
    9678884

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-[[(1R,4aR,10aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamin (3S)-3-[[(1R,4aR,10aS)-7-isoprop…

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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) 7.58 15.9 -57.95 2 4 1 46 505.767 6 ↓

    Analogs

    36157517
    36157517
    36157521
    36157521
    36157526
    36157526
    13940563
    13940563
    13940564
    13940564

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-[[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamin (3S)-3-[[(1R,4aS,10aR)-7-isoprop…

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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) 7.41 15.87 -58.17 2 4 1 46 501.735 6 ↓
    Hi High (pH 8-9.5) 7.41 14.9 -12.59 1 4 0 42 500.727 6 ↓

    Analogs

    36157521
    36157521
    36157526
    36157526
    36157513
    36157513

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-[[(1R,4aS,10aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamin (3S)-3-[[(1R,4aS,10aS)-7-isoprop…

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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) 7.41 15.76 -59.24 2 4 1 46 501.735 6 ↓
    Hi High (pH 8-9.5) 7.41 14.94 -12.67 1 4 0 42 500.727 6 ↓

    Analogs

    36157526
    36157526
    36157513
    36157513

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-[[(1R,4aR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamin (3S)-3-[[(1R,4aR,10aR)-7-isoprop…

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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) 7.41 15.38 -54.4 2 4 1 46 501.735 6 ↓
    Hi High (pH 8-9.5) 7.41 14.57 -12.39 1 4 0 42 500.727 6 ↓

    Analogs

    36157513
    36157513

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-[[(1R,4aR,10aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamin (3S)-3-[[(1R,4aR,10aS)-7-isoprop…

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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) 7.41 15.74 -56.91 2 4 1 46 501.735 6 ↓
    Hi High (pH 8-9.5) 7.41 15.05 -13.01 1 4 0 42 500.727 6 ↓

    Analogs

    36213679
    36213679
    20740662
    20740662
    20740665
    20740665
    33357492
    33357492

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[[(1R,4aR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamino] 1-[4-[[(1R,4aR,10aR)-7-isopropyl…

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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) 6.01 15.33 -15.73 1 7 0 95 503.643 6 ↓

    Analogs

    36213676
    36213676
    20740662
    20740662
    20740665
    20740665

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[[(1R,4aR,10aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamino] 1-[4-[[(1R,4aR,10aS)-7-isopropyl…

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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) 6.01 15.61 -15.51 1 7 0 95 503.643 6 ↓

    Analogs

    36213687
    36213687
    20740851
    20740851
    20740857
    20740857

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-4-(4-me N-[[(1R,4aS,10aR)-7-isopropyl-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) 7.28 14.32 -9.73 1 4 0 55 475.673 8 ↓

    Analogs

    36213684
    36213684
    20740851
    20740851
    20740857
    20740857

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[(1R,4aR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-4-(4-me N-[[(1R,4aR,10aR)-7-isopropyl-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) 7.28 14 -9.38 1 4 0 55 475.673 8 ↓

    Analogs

    12401749
    12401749
    12401750
    12401750
    12401751
    12401751
    14944170
    14944170
    14944172
    14944172

    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) 8.54 2.45 -8.99 1 2 0 29 479.708 6 ↓

    Analogs

    12401750
    12401750
    12401751
    12401751
    14944170
    14944170
    14944172
    14944172
    12401748
    12401748

    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) 8.54 2.64 -9.14 1 2 0 29 479.708 6 ↓

    Analogs

    12401751
    12401751
    14944170
    14944170
    14944172
    14944172
    12401748
    12401748
    12401749
    12401749

    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) 8.54 2.59 -8.74 1 2 0 29 479.708 6 ↓

    Analogs

    14944170
    14944170
    14944172
    14944172
    12401748
    12401748
    12401749
    12401749

    Draw Identity 99% 90% 80% 70%


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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) 8.54 2.68 -8.41 1 2 0 29 479.708 6 ↓

    Analogs

    8869570
    8869570
    8869573
    8869573

    Draw Identity 99% 90% 80% 70%


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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) 8.72 0.88 -9.44 1 2 0 29 480.117 4 ↓

    Analogs

    13858030
    13858030
    13858031
    13858031
    9614293
    9614293
    9614294
    9614294

    Draw Identity 99% 90% 80% 70%


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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) 8.69 2.41 -9.47 1 2 0 29 465.681 5 ↓

    Analogs

    26147464
    26147464
    26147473
    26147473
    29571808
    29571808
    36294143
    36294143
    13831982
    13831982

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4aS,10aR)-N,9,9-trimethyl-1,2,3,4,10,10a-hexahydrophenanthren-4a-amine (4aS,10aR)-N,9,9-trimethyl-1,2,3…

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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) 4.77 8.84 -37.7 2 1 1 17 244.402 1 ↓

    Analogs

    26147473
    26147473
    29571808
    29571808
    36294143
    36294143
    26147456
    26147456
    13831982
    13831982

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4aR,10aR)-N,9,9-trimethyl-1,2,3,4,10,10a-hexahydrophenanthren-4a-amine (4aR,10aR)-N,9,9-trimethyl-1,2,3…

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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) 4.77 8.92 -34.52 2 1 1 17 244.402 1 ↓

    Analogs

    29571808
    29571808
    36294143
    36294143
    26147456
    26147456
    26147464
    26147464

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4aS,10aS)-N,9,9-trimethyl-1,2,3,4,10,10a-hexahydrophenanthren-4a-amine (4aS,10aS)-N,9,9-trimethyl-1,2,3…

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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) 4.77 8.93 -34.48 2 1 1 17 244.402 1 ↓

    Analogs

    26147490
    26147490
    26147497
    26147497
    36294147
    36294147
    36294150
    36294150
    13831978
    13831978

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4aS,10aS)-9,9-dimethyl-1,2,3,4,10,10a-hexahydrophenanthren-4a-amine (4aS,10aS)-9,9-dimethyl-1,2,3,4,…

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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) 4.39 7.39 -40.24 3 1 1 28 230.375 0 ↓

    Analogs

    26147497
    26147497
    36294147
    36294147
    36294150
    36294150
    26147482
    26147482

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4aS,10aR)-9,9-dimethyl-1,2,3,4,10,10a-hexahydrophenanthren-4a-amine (4aS,10aR)-9,9-dimethyl-1,2,3,4,…

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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) 4.39 7.24 -43.75 3 1 1 28 230.375 0 ↓

    Analogs

    36294147
    36294147
    36294150
    36294150
    26147482
    26147482

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4aR,10aR)-9,9-dimethyl-1,2,3,4,10,10a-hexahydrophenanthren-4a-amine (4aR,10aR)-9,9-dimethyl-1,2,3,4,…

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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) 4.39 7.4 -40.11 3 1 1 28 230.375 0 ↓

    Analogs

    35013482
    35013482
    35014414
    35014414

    Draw Identity 99% 90% 80% 70%

    Popular Name: hydrabamine hydrabamine

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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) 9.48 22.22 -146.71 4 2 2 33 599.004 9 ↓
    Hi High (pH 8-9.5) 9.48 19.99 -2.49 2 2 0 24 596.988 9 ↓
    Mid Mid (pH 6-8) 9.48 21.07 -46.62 3 2 1 29 597.996 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-aminoethyl)-N-[(carbamoylmethyl-tetralin-1-yl-carbamoyl)methyl]-2-[(7-isopropyl-1,4a-dimethyl-2 N-(2-aminoethyl)-N-[(carbamoylme…

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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) 4.46 -2.72 -144.43 7 8 2 127 631.906 12 ↓

    Analogs

    31542692
    31542692
    26388635
    26388635

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4bS,7R,8aR)-7-methyl-7-[(1S)-4,4,4-trifluoro-1-hydroxy-but-2-ynyl]-5,6,8,8a,9,10-hexahydro-4bH-phen (4bS,7R,8aR)-7-methyl-7-[(1S)-4,…

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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) 4.45 6.18 -5.55 2 2 0 40 338.369 1 ↓

    Analogs

    31542692
    31542692
    26388635
    26388635

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4bR,7R,8aR)-7-methyl-7-[(1S)-4,4,4-trifluoro-1-hydroxy-but-2-ynyl]-5,6,8,8a,9,10-hexahydro-4bH-phen (4bR,7R,8aR)-7-methyl-7-[(1S)-4,…

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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) 4.45 6.52 -6.09 2 2 0 40 338.369 1 ↓

    Analogs

    26158733
    26158733
    26158741
    26158741

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,4aS,10aR)-4a-amino-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-2-carbonitrile (2S,4aS,10aR)-4a-amino-2,3,4,9,1…

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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) 3.09 6.58 -54.23 3 2 1 51 227.331 0 ↓

    Analogs

    3983623
    3983623
    4377042
    4377042

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-{[(7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methyl]amino}-4-oxobut-2-enoic acid 4-{[(7-isopropyl-1,4a-dimethyl-1…

    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) 5.30 12.93 -62.15 1 4 -1 69 382.524 5 ↓

    Analogs

    3983623
    3983623
    4377042
    4377042

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-{[(7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methyl]amino}-4-oxobut-2-enoic acid 4-{[(7-isopropyl-1,4a-dimethyl-1…

    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) 5.30 12.75 -61.28 1 4 -1 69 382.524 5 ↓

    Parameters Provided:

    ring.id = 19989
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 = 19989 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=19989&filter.purchasability=annotated

    Embed Link to Results

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