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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: N-[(Z)-1H-benzo[g]indol-3-ylmethyleneamino]-2-cyano-acetamide N-[(Z)-1H-benzo[g]indol-3-ylmeth…

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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) 2.15 6.78 -23.12 2 5 0 81 276.299 3 ↓

Analogs

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Popular Name: (3E)-3-[(2-chloro-1-methyl-benzo[g]indol-3-yl)methylene]-5-hydroxy-1-methyl-indolin-2-one (3E)-3-[(2-chloro-1-methyl-benzo…

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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) 4.88 10.08 -12.1 1 4 0 47 388.854 1 ↓

Analogs

31702613
31702613
34925823
34925823
34925824
34925824

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Popular Name: 1-(diethylamino)-3-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-2-propanol 1-(diethylamino)-3-(2,3-diphenyl…

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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) 6.92 1.52 -43.07 2 3 1 29 449.618 8 ↓

Analogs

31702613
31702613

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Popular Name: 1-(diethylamino)-3-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-2-propanol 1-(diethylamino)-3-(2,3-diphenyl…

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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) 6.92 0.85 -42.99 2 3 1 29 449.618 8 ↓

Analogs

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Popular Name: 1-(diallylamino)-3-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-2-propanol 1-(diallylamino)-3-(2,3-diphenyl…

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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) 7.46 2.24 -43.17 2 3 1 29 473.64 10 ↓

Analogs

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Popular Name: 1-(diallylamino)-3-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-2-propanol 1-(diallylamino)-3-(2,3-diphenyl…

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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) 7.46 1.8 -43.49 2 3 1 29 473.64 10 ↓

Analogs

34925823
34925823
34925824
34925824

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Popular Name: 1-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-3-[(2-hydroxyethyl)amino]-2-propanol 1-(2,3-diphenyl-1H-benzo[g]indol…

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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) 4.94 -4.16 -47.88 4 4 1 61 437.563 8 ↓

Analogs

34925823
34925823
34925824
34925824

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Popular Name: 1-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-3-[(2-hydroxyethyl)amino]-2-propanol 1-(2,3-diphenyl-1H-benzo[g]indol…

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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) 4.94 -4.11 -49 4 4 1 61 437.563 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-3-[(2-phenylethyl)amino]-2-propanol 1-(2,3-diphenyl-1H-benzo[g]indol…

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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) 7.38 -1.05 -54.78 3 3 1 41 497.662 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-3-[(2-phenylethyl)amino]-2-propanol 1-(2,3-diphenyl-1H-benzo[g]indol…

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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) 7.38 -0.72 -55.18 3 3 1 41 497.662 9 ↓

Analogs

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Popular Name: 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-2-propanol 1-(4-bromo-3,5-dimethyl-1H-pyraz…

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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) 7.39 -0.17 -14.9 1 4 0 42 550.5 6 ↓

Analogs

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Popular Name: 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-2-propanol 1-(4-bromo-3,5-dimethyl-1H-pyraz…

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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) 7.39 -0.06 -16.23 1 4 0 42 550.5 6 ↓

Analogs

3213744
3213744
3213745
3213745

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Popular Name: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-2-propanol 1-(3,5-dimethyl-1H-pyrazol-1-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) 6.66 0.34 -15.33 1 4 0 42 471.604 6 ↓

Analogs

3213744
3213744
3213745
3213745

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-2-propanol 1-(3,5-dimethyl-1H-pyrazol-1-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) 6.66 0.72 -14.89 1 4 0 42 471.604 6 ↓

Analogs

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Popular Name: 1-anilino-3-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-2-propanol 1-anilino-3-(2,3-diphenyl-1H-ben…

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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) 7.62 -1.35 -10.42 2 3 0 37 468.6 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-anilino-3-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-2-propanol 1-anilino-3-(2,3-diphenyl-1H-ben…

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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) 7.62 -1.65 -9.95 2 3 0 37 468.6 7 ↓

Analogs

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Popular Name: (2S)-1-(benzotriazol-1-yl)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol (2S)-1-(benzotriazol-1-yl)-3-(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) 7.18 0.23 -18.98 1 5 0 55 494.598 6 ↓

Analogs

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Popular Name: (2R)-1-(benzotriazol-1-yl)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol (2R)-1-(benzotriazol-1-yl)-3-(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) 7.18 -0.13 -19.56 1 5 0 55 494.598 6 ↓

Analogs

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Popular Name: 1-(allylanilino)-3-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-2-propanol 1-(allylanilino)-3-(2,3-diphenyl…

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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) 8.51 1.18 -11.82 1 3 0 28 508.665 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(allylanilino)-3-(2,3-diphenyl-1H-benzo[g]indol-1-yl)-2-propanol 1-(allylanilino)-3-(2,3-diphenyl…

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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) 8.41 19.5 -11.74 1 3 0 28 508.665 9 ↓

Analogs

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Popular Name: methyl 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) 3.45 7.71 -14.79 1 5 0 61 339.391 4 ↓

Analogs

1050118
1050118

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Popular Name: methyl 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) 3.45 7.69 -14.5 1 5 0 61 339.391 4 ↓

Analogs

15303911
15303911

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Popular Name: benzyl benzyl

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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) 6.38 14.81 -22.64 2 8 0 109 509.562 10 ↓

Analogs

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Popular Name: methyl 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) 4.52 10.05 -20.93 2 8 0 109 419.437 7 ↓

Analogs

4893025
4893025

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Popular Name: 1-[5-hydroxy-1-(2-methoxyethyl)-2-methyl-benzo[g]indol-3-yl]ethanone 1-[5-hydroxy-1-(2-methoxyethyl)-…

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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 6.33 -11.39 1 4 0 51 297.354 4 ↓

Analogs

8856783
8856783
2873036
2873036

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Popular Name: methyl 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) 5.29 11.15 -12.82 1 5 0 61 423.896 7 ↓

Analogs

8856783
8856783

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Popular Name: benzyl benzyl

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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) 6.88 15.12 -13.42 1 5 0 61 499.994 9 ↓

Analogs

719833
719833
717183
717183
718040
718040

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Popular Name: methyl 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) 6.47 12.34 -12.12 1 5 0 61 431.532 7 ↓

Analogs

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Popular Name: methyl 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) 7.15 15.1 -12.8 1 5 0 61 493.603 8 ↓

Analogs

8782974
8782974

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 6.16 12.87 -17.36 1 7 0 83 509.558 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 4.79 9.32 -13.79 1 6 0 70 405.45 7 ↓

Analogs

1440034
1440034
1467868
1467868
2503293
2503293

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Popular Name: methyl 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) 4.76 10.02 -12.53 1 5 0 61 375.424 6 ↓

Analogs

16683040
16683040
8783570
8783570
4164574
4164574
1107099
1107099

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Popular Name: benzyl benzyl

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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) 7.97 16.49 -13.95 1 4 0 51 477.604 7 ↓

Parameters Provided:

ring.id = 177922
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 = 177922 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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