UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

896747
896747
22002214
22002214
22002218
22002218

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Popular Name: 3-ethyl-2-methyl-5-(morpholinomethyl)-1,5,6,7-tetrahydroindol-4-one 3-ethyl-2-methyl-5-(morpholinome…

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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) 2.16 -0.02 -35.85 2 4 1 46 277.388 3 ↓

Analogs

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Popular Name: 5-[2-(4-bromophenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindol-1-yl]-2-hydroxy-benzoic 5-[2-(4-bromophenyl)-6,6-dimethy…

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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) 5.96 0.4 -54.81 1 5 -1 82 453.312 3 ↓
Lo Low (pH 4.5-6) 4.08 0.53 -54.81 2 5 0 81 454.32 2 ↓

Analogs

33728563
33728563
34865192
34865192
41706681
41706681

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Popular Name: 2-(4-bromophenyl)-1-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydroindol-4-one 2-(4-bromophenyl)-1-(2-fluorophe…

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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 3.08 -11.72 0 2 0 22 412.302 2 ↓

Analogs

33728563
33728563
34865192
34865192

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Popular Name: 2-(4-bromophenyl)-1-(4-fluorophenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one 2-(4-bromophenyl)-1-(4-fluorophe…

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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) 6.00 2.99 -8.73 0 2 0 22 412.302 2 ↓

Analogs

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Popular Name: N-[1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-4-piperidyl]methanesulfonamide N-[1-(3-methyl-4-oxo-1,5,6,7-tet…

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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) 0.73 2.39 -22.36 2 7 0 99 353.444 3 ↓

Analogs

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Popular Name: 2-[1-(3-acetylphenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindol-2-yl]acetic 2-[1-(3-acetylphenyl)-6,6-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) 3.10 2.82 -77.22 0 5 -1 79 338.383 4 ↓

Analogs

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Popular Name: 4-oxo-N-(3-thienyl)-1,5,6,7-tetrahydroindole-3-carboxamide 4-oxo-N-(3-thienyl)-1,5,6,7-tetr…

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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) 1.53 6.14 -24.42 2 4 0 62 260.318 2 ↓

Analogs

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Popular Name: N-(7-methoxy-1,8-naphthyridin-2-yl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide N-(7-methoxy-1,8-naphthyridin-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) 2.09 6.63 -42.26 2 7 0 97 336.351 3 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,5,6,7-tetrahydroin N-[(3-fluorophenyl)methyl]-3-met…

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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) 3.09 9.85 -13.32 1 5 0 62 384.451 5 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,5,6,7-tetrahydroin N-[(3-fluorophenyl)methyl]-3-met…

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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) 3.09 9.82 -13.69 1 5 0 62 384.451 5 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-1-(3-chlorophenyl)-6-phenyl-5,6,7-trihydroindol-4-one 2-(4-bromophenyl)-1-(3-chlorophe…

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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) 7.61 16.59 -9.27 0 2 0 22 476.801 3 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-2-(4-bromophenyl)-6-phenyl-5,6,7-trihydroindol-4-one 1-(3,4-difluorophenyl)-2-(4-brom…

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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) 7.21 16.2 -10.13 0 2 0 22 478.336 3 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-1-indan-5-yl-6-phenyl-5,6,7-trihydroindol-4-one 2-(4-bromophenyl)-1-indan-5-yl-6…

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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 17.99 -8.57 0 2 0 22 482.421 3 ↓

Analogs

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Popular Name: 1-(3-acetylphenyl)-2-(4-bromophenyl)-6-phenyl-5,6,7-trihydroindol-4-one 1-(3-acetylphenyl)-2-(4-bromophe…

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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) 6.83 16.52 -16.93 0 3 0 39 484.393 4 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-1-(4-(isopropyl)phenyl)-6-phenyl-5,6,7-trihydroindol-4-one 2-(4-bromophenyl)-1-(4-(isopropy…

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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) 8.23 18.01 -8.18 0 2 0 22 484.437 4 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-5,6,7-trihydroindol-4-one 2-(4-bromophenyl)-1-(4-ethoxyphe…

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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 16.3 -8.9 0 3 0 31 486.409 5 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-1-(4-oxachroman-6-yl)-6-phenyl-5,6,7-trihydroindol-4-one 2-(4-bromophenyl)-1-(4-oxachroma…

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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 15.23 -10.73 0 4 0 40 500.392 3 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-1-(3-hydroxyphenyl)-6-phenyl-5,6,7-trihydroindol-4-one 2-(4-bromophenyl)-1-(3-hydroxyph…

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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) 6.45 13.21 -10.86 1 3 0 42 458.355 3 ↓

Analogs

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Popular Name: N-[2-(2-fluorophenoxy)ethyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide N-[2-(2-fluorophenoxy)ethyl]-2-m…

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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) 2.27 6.19 -21.01 2 5 0 71 330.359 5 ↓

Analogs

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Popular Name: 3-[(2R)-2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one 3-[(2R)-2-[(3-methoxyphenyl)meth…

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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) 1.91 8.04 -21.86 1 6 0 72 382.46 4 ↓

Analogs

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Popular Name: 3-[(2S)-2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one 3-[(2S)-2-[(3-methoxyphenyl)meth…

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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) 1.91 8.09 -21.83 1 6 0 72 382.46 4 ↓

Analogs

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Popular Name: 3-[(3R)-4-(cyclopropylmethyl)-3-isopropyl-5-oxo-1,4-diazepane-1-carbonyl]-2-methyl-1,5,6,7-tetrahydr 3-[(3R)-4-(cyclopropylmethyl)-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) 1.70 10.43 -16.39 1 6 0 73 385.508 4 ↓

Analogs

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Popular Name: 3-[(3S)-4-(cyclopropylmethyl)-3-isopropyl-5-oxo-1,4-diazepane-1-carbonyl]-2-methyl-1,5,6,7-tetrahydr 3-[(3S)-4-(cyclopropylmethyl)-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) 1.70 10.31 -20.19 1 6 0 73 385.508 4 ↓

Analogs

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Popular Name: 2-methyl-1-[(3-nitrophenyl)methyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(3-nitrophenyl)methy…

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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) 2.94 10.38 -17.69 0 5 0 68 284.315 3 ↓

Analogs

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Popular Name: 1-[(3-nitrophenyl)methyl]-6,7-dihydro-5H-indol-4-one 1-[(3-nitrophenyl)methyl]-6,7-di…

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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) 2.72 10.13 -17.49 0 5 0 68 270.288 3 ↓

Analogs

25383596
25383596

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Popular Name: 3-methyl-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one 3-methyl-2-[4-(2-oxo-2-pyrrolidi…

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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) 0.82 5.72 -19.49 1 7 0 77 372.469 3 ↓

Analogs

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Popular Name: N-allyl-2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]acetamide N-allyl-2-[4-(3-methyl-4-oxo-1,5…

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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) 1.32 3.89 -18.88 2 7 0 86 358.442 5 ↓

Analogs

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Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide N-[(2-chloro-5-nitro-phenyl)meth…

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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) 3.14 9.93 -18.05 1 7 0 99 375.812 4 ↓

Analogs

25450331
25450331
25450327
25450327

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Popular Name: 3-methyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-1,5,6,7-tetrah 3-methyl-N-[(1S)-3-methylsulfany…

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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) 2.24 9.49 -19.85 2 7 0 92 397.504 6 ↓

Analogs

25450331
25450331
25450327
25450327

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Popular Name: 3-methyl-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxo-1,5,6,7-tetrah 3-methyl-N-[(1R)-3-methylsulfany…

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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) 2.24 9.49 -19.77 2 7 0 92 397.504 6 ↓

Analogs

25398725
25398725
25398730
25398730

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Popular Name: 3-methyl-N-[(2R)-2-(5-methyl-2-furyl)-2-morpholino-ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxami 3-methyl-N-[(2R)-2-(5-methyl-2-f…

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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) 1.87 5.29 -16.61 2 7 0 88 385.464 5 ↓
Lo Low (pH 4.5-6) 1.87 7.35 -53.05 3 7 1 89 386.472 5 ↓

Analogs

25398725
25398725
25398730
25398730

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Popular Name: 3-methyl-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholino-ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxami 3-methyl-N-[(2S)-2-(5-methyl-2-f…

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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) 1.87 4.91 -19.6 2 7 0 88 385.464 5 ↓
Lo Low (pH 4.5-6) 1.87 7.37 -52.01 3 7 1 89 386.472 5 ↓

Analogs

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Popular Name: 2-(1-isopropyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)-N-(2-pyrazin-2-ylethyl)acetamide 2-(1-isopropyl-2,6,6-trimethyl-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) 2.59 -0.52 -19.49 1 6 0 77 382.508 6 ↓

Analogs

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Popular Name: 1-benzyl-3-[2-(4-methoxy-1-piperidyl)-2-oxo-ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-benzyl-3-[2-(4-methoxy-1-piper…

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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) 2.11 0.79 -17.37 0 5 0 52 394.515 5 ↓

Analogs

25519465
25519465
25519469
25519469

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Popular Name: N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-ca N-[(S)-(2-methoxyphenyl)-(1-meth…

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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) 2.28 8.15 -21.26 2 7 0 89 392.459 5 ↓
Lo Low (pH 4.5-6) 2.28 8.78 -42.33 3 7 1 90 393.467 5 ↓

Analogs

25519465
25519465
25519469
25519469

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Popular Name: N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-ca N-[(R)-(2-methoxyphenyl)-(1-meth…

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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) 2.28 8.23 -21.45 2 7 0 89 392.459 5 ↓
Lo Low (pH 4.5-6) 2.28 9.44 -42.45 3 7 1 90 393.467 5 ↓

Analogs

12587032
12587032
14949719
14949719
41706411
41706411
41706414
41706414
41706423
41706423

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Popular Name: 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-acetamide 2-(1-benzyl-2-methyl-4-oxo-6,7-d…

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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) 2.22 0.02 -17.44 1 4 0 51 310.397 4 ↓

Analogs

11815296
11815296

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Popular Name: 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-[(2R)-2-hydroxypropyl]acet 2-[1-[(4-fluorophenyl)methyl]-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) 2.12 -1.72 -19.59 2 5 0 71 372.44 6 ↓

Analogs

11815294
11815294

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Popular Name: 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-[(2S)-2-hydroxypropyl]acet 2-[1-[(4-fluorophenyl)methyl]-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) 2.12 -1.79 -18.88 2 5 0 71 372.44 6 ↓

Analogs

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Popular Name: 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(tetrahydropyran-4-ylmethyl)acetami 2-(1-benzyl-2-methyl-4-oxo-6,7-d…

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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 0.91 -18.22 0 5 0 52 408.542 6 ↓

Analogs

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Popular Name: 2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2-methylthiazol-4-yl)methyl]acetamide 2-(1-butyl-2-methyl-4-oxo-6,7-di…

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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) 2.35 -1.24 -18.18 1 5 0 64 373.522 7 ↓

Analogs

41686585
41686585
41686587
41686587
41707374
41707374
41707377
41707377
41707380
41707380

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Popular Name: 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-propyl-acetamide 2-[1-[(2-fluorophenyl)methyl]-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) 3.22 0.57 -17.46 1 4 0 51 356.441 6 ↓

Analogs

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Popular Name: 2-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one 2-[(2R)-2-(1H-benzimidazol-2-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) 2.76 8.46 -25.18 2 6 0 82 362.433 2 ↓
Mid Mid (pH 6-8) 2.76 8.97 -40.23 3 6 1 83 363.441 2 ↓

Analogs

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Popular Name: 2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one 2-[(2S)-2-(1H-benzimidazol-2-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) 2.76 8.46 -25.18 2 6 0 82 362.433 2 ↓
Mid Mid (pH 6-8) 2.76 8.98 -40.01 3 6 1 83 363.441 2 ↓

Analogs

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Popular Name: 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-tetrahydropyran-4-yl-acetamide 2-(1-benzyl-2-methyl-4-oxo-6,7-d…

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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) 2.60 -1.08 -17.23 1 5 0 60 380.488 5 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]aceta N-(2-amino-2-oxo-ethyl)-2-[1-[(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) 1.07 -2.63 -20.15 3 6 0 94 371.412 6 ↓

Analogs

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Popular Name: 2-(1-butyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide 2-(1-butyl-2-methyl-4-oxo-6,7-di…

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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) 2.99 2.08 -13.52 1 4 0 51 344.377 7 ↓

Analogs

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Popular Name: N-(2-thiazol-4-ylethyl)-2-(2,6,6-trimethyl-4-oxo-1-propyl-5,7-dihydroindol-3-yl)acetamide N-(2-thiazol-4-ylethyl)-2-(2,6,6…

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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) 3.37 -0.25 -18.44 1 5 0 64 387.549 7 ↓

Analogs

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Popular Name: 2-(1-isobutyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)-N-[(5-methyl-2H-pyrazol-3-yl)methyl]aceta 2-(1-isobutyl-2,6,6-trimethyl-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) 2.88 8.61 -15.3 2 6 0 80 384.524 6 ↓

Analogs

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Popular Name: N-[2-(1H-imidazol-4-yl)ethyl]-2-(1-isobutyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)acetamide N-[2-(1H-imidazol-4-yl)ethyl]-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) 2.67 10.02 -23.97 2 6 0 80 384.524 7 ↓
Mid Mid (pH 6-8) 2.67 10.48 -44.56 3 6 1 81 385.532 7 ↓

Parameters Provided:

ring.id = 345
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 = 345 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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