UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [2-(2-methyl-1H-indol-3-yl)-2-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) 3.51 -1.59 -17.15 3 7 0 100 407.47 8 ↓

Analogs

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Popular Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [1-methyl-2-(2-methyl-1H-indol-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) 3.87 -1.3 -16.38 3 7 0 100 421.497 8 ↓

Analogs

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Popular Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [1-methyl-2-(2-methyl-1H-indol-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) 3.87 -1.3 -16.44 3 7 0 100 421.497 8 ↓

Analogs

3571375
3571375

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Popular Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [2-(2-methyl-1H-indol-3-yl)-2-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) 4.11 2.54 -11.89 1 4 0 59 321.376 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [2-(2-methyl-1H-indol-3-yl)-2-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) 4.19 2.04 -10.77 1 4 0 59 390.208 5 ↓

Analogs

11531621
11531621

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Popular Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] [2-(1H-indol-3-yl)-1-methyl-2-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) 4.47 1.6 -17.02 1 4 0 59 373.861 6 ↓

Analogs

11531617
11531617

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Popular Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] [2-(1H-indol-3-yl)-1-methyl-2-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) 4.47 1.63 -16.81 1 4 0 59 373.861 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] [2-(1H-indol-3-yl)-2-oxo-ethyl]

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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 10.36 -15.86 1 4 0 59 376.181 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [1-methyl-2-(2-methyl-1H-indol-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) 2.81 1.91 -14.54 2 6 0 88 378.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [1-methyl-2-(2-methyl-1H-indol-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) 2.81 1.92 -14.07 2 6 0 88 378.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] [2-(1H-indol-3-yl)-1-methyl-2-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) 2.59 1.77 -18.83 2 6 0 88 364.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] [2-(1H-indol-3-yl)-1-methyl-2-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) 2.59 1.82 -19.14 2 6 0 88 364.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] [2-(1H-indol-3-yl)-2-oxo-ethyl]

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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) 4.08 8.32 -21.77 2 5 0 79 329.739 5 ↓
Mid Mid (pH 6-8) 4.08 9.35 -55.46 1 5 -1 82 328.731 5 ↓

Analogs

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Popular Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] [2-(7-ethyl-1H-indol-3-yl)-2-oxo…

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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) 3.41 7.21 -26.9 4 7 0 114 365.389 7 ↓

Analogs

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Popular Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] [2-[1-(2-cyanoethyl)indol-3-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) 4.36 14.28 -20.41 1 6 0 84 403.482 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] [2-(7-ethyl-1H-indol-3-yl)-2-oxo…

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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) 3.34 6.91 -22.6 3 7 0 119 400.456 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] [2-(2-methyl-1H-indol-3-yl)-2-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) 4.32 11.5 -15.15 1 7 0 105 417.215 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] [2-(1H-indol-3-yl)-2-oxo-ethyl]

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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) 2.36 11.03 -25.46 1 6 0 79 396.468 8 ↓

Analogs

6514812
6514812

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Popular Name: 4-ethoxybenzoic-acid-[2-(1H-indol-3-yl)-2-keto-ethyl]-ester 4-ethoxybenzoic-acid-[2-(1H-indo…

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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) 3.84 1.92 -15.82 1 5 0 68 323.348 7 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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SQL Query Was

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