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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N,N,1-trimethyl-pyrrolo[3,2-b]pyridine-2-carboxamide 6-[4-(2-chlorophenyl)piperazine-…

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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) 2.17 9.13 -12.05 0 7 0 62 425.92 3 ↓
Lo Low (pH 4.5-6) 2.17 9.54 -39.19 1 7 1 63 426.928 3 ↓

Analogs

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Popular Name: N6-isobutyl-N2,N2,1-trimethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-isobutyl-N2,N2,1-trimethyl-py…

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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) 1.30 4.67 -12.62 1 6 0 67 302.378 4 ↓
Lo Low (pH 4.5-6) 1.30 5.11 -44.48 2 6 1 68 303.386 4 ↓

Analogs

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Popular Name: 6-(indoline-1-carbonyl)-N,N,1-trimethyl-pyrrolo[3,2-b]pyridine-2-carboxamide 6-(indoline-1-carbonyl)-N,N,1-tr…

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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 7.7 -16.28 0 6 0 58 348.406 2 ↓
Lo Low (pH 4.5-6) 2.11 8.12 -49.27 1 6 1 60 349.414 2 ↓

Analogs

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Popular Name: N6-[2-(3-methoxyphenyl)ethyl]-N2,N2,1-trimethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-[2-(3-methoxyphenyl)ethyl]-N2…

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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) 2.02 6.26 -16.11 1 7 0 76 380.448 6 ↓
Lo Low (pH 4.5-6) 2.02 6.7 -49.44 2 7 1 78 381.456 6 ↓

Analogs

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Popular Name: ethyl 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) 4.02 13.35 -21.26 1 7 0 97 424.46 7 ↓

Analogs

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Popular Name: 1-(2-acetyl-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)piperidine-4-carboxamide 1-(2-acetyl-1H-pyrrolo[3,2-b]pyr…

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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) -0.15 1.61 -20.45 3 7 0 109 314.345 3 ↓
Lo Low (pH 4.5-6) -0.15 2.05 -48.33 4 7 1 110 315.353 3 ↓

Analogs

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Popular Name: 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,1-trimethyl-pyrrolo[3,2-b]pyridine-2-carboxamide 6-[4-(3-chlorophenyl)piperazine-…

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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) 2.20 8.51 -14.2 0 7 0 62 425.92 3 ↓
Lo Low (pH 4.5-6) 2.20 8.97 -43.18 1 7 1 63 426.928 3 ↓

Analogs

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Popular Name: N6-(3-ethoxypropyl)-N2,N2,1-trimethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-(3-ethoxypropyl)-N2,N2,1-trim…

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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) 0.81 3.95 -13.52 1 7 0 76 332.404 7 ↓
Lo Low (pH 4.5-6) 0.81 4.38 -45.45 2 7 1 78 333.412 7 ↓

Analogs

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Popular Name: 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N,1-trimethyl-pyrrolo[3,2-b]pyridine-2-carboxamide 6-(3,4-dihydro-2H-quinoline-1-ca…

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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) 2.63 8.16 -14.3 0 6 0 58 362.433 2 ↓
Lo Low (pH 4.5-6) 2.63 8.62 -46.77 1 6 1 60 363.441 2 ↓

Analogs

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Popular Name: N6-[4-(diethylamino)-2-methyl-phenyl]-N2,N2,1-trimethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-[4-(diethylamino)-2-methyl-ph…

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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) 3.11 9.3 -70.23 2 7 0 72 408.526 6 ↓
Mid Mid (pH 6-8) 3.11 9.24 -14.54 1 7 0 70 407.518 6 ↓
Lo Low (pH 4.5-6) 3.11 9.72 -66.98 3 7 0 73 409.534 6 ↓

Analogs

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Popular Name: N6-cyclopropyl-N2,N2,1-trimethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-cyclopropyl-N2,N2,1-trimethyl…

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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) 0.55 3.99 -13.49 1 6 0 67 286.335 3 ↓
Lo Low (pH 4.5-6) 0.55 4.48 -44.32 2 6 1 68 287.343 3 ↓

Analogs

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Popular Name: 1-benzyl-5-(4-methylpiperazine-1-carbonyl)pyrrolo[2,3-b]pyridine-3-carbonitrile 1-benzyl-5-(4-methylpiperazine-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) 1.45 9.19 -13.28 0 6 0 65 359.433 3 ↓
Mid Mid (pH 6-8) 1.45 11.55 -47.3 1 6 1 66 360.441 3 ↓

Analogs

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Popular Name: 4-(1-benzyl-3-cyano-pyrrolo[2,3-b]pyridine-5-carbonyl)-N,N-dimethyl-piperazine-1-sulfonamide 4-(1-benzyl-3-cyano-pyrrolo[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) 0.82 8.61 -19.08 0 9 0 103 452.54 5 ↓

Analogs

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Popular Name: N2,N2,1-trimethyl-N6-(o-tolyl)pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N2,N2,1-trimethyl-N6-(o-tolyl)py…

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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 6.98 -13.39 1 6 0 67 336.395 3 ↓
Lo Low (pH 4.5-6) 2.28 7.4 -46.96 2 6 1 68 337.403 3 ↓

Analogs

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Popular Name: 1-benzyl-5-(4-ethylpiperazine-1-carbonyl)pyrrolo[2,3-b]pyridine-3-carbonitrile 1-benzyl-5-(4-ethylpiperazine-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) 1.82 9.98 -13.01 0 6 0 65 373.46 4 ↓
Mid Mid (pH 6-8) 1.82 12.2 -45.93 1 6 1 66 374.468 4 ↓

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-1-benzyl-3-cyano-pyrrolo[2,3-b]pyridine-5-carboxamide N-(1,3-benzothiazol-2-yl)-1-benz…

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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) 4.03 12.88 -22.99 1 6 0 84 409.474 4 ↓

Analogs

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Popular Name: N2,N2,1-trimethyl-N6-(m-tolyl)pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N2,N2,1-trimethyl-N6-(m-tolyl)py…

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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) 2.30 6.76 -13.35 1 6 0 67 336.395 3 ↓
Lo Low (pH 4.5-6) 2.30 7.2 -46.42 2 6 1 68 337.403 3 ↓

Analogs

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Popular Name: 1-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolo[2,3-b]pyridine-3-carbonitrile 1-benzyl-5-(3,4-dihydro-1H-isoqu…

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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 13.73 -16.27 0 5 0 62 392.462 3 ↓

Analogs

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Popular Name: 1-benzyl-3-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolo[2,3-b]pyridine-5-carboxamide 1-benzyl-3-cyano-N-(6-ethoxy-1,3…

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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) 4.44 13.09 -21.89 1 7 0 93 453.527 6 ↓

Analogs

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Popular Name: N,N,1-trimethyl-6-(pyrrolidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide N,N,1-trimethyl-6-(pyrrolidine-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) 0.36 5.05 -14.55 0 6 0 58 300.362 2 ↓
Lo Low (pH 4.5-6) 0.36 5.48 -38.08 1 6 1 60 301.37 2 ↓

Analogs

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Popular Name: 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N,1-trimethyl-pyrrolo[3,2-b]pyridine-2-carboxamide 6-[4-(2-methoxyphenyl)piperazine…

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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) 1.55 7.83 -13.24 0 8 0 71 421.501 4 ↓
Lo Low (pH 4.5-6) 1.55 8.29 -39.93 1 8 1 72 422.509 4 ↓

Analogs

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Popular Name: N6-cycloheptyl-N2,N2,1-trimethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-cycloheptyl-N2,N2,1-trimethyl…

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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 6.27 -13.63 1 6 0 67 342.443 3 ↓
Lo Low (pH 4.5-6) 2.59 6.73 -44.98 2 6 1 68 343.451 3 ↓

Analogs

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Popular Name: N2,N2,1-trimethyl-N6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolo[3,2-b]pyridine-2,6-dicarboxam N2,N2,1-trimethyl-N6-(4,5,6,7-te…

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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) 2.17 7.2 -18.7 1 7 0 80 383.477 3 ↓
Lo Low (pH 4.5-6) 2.17 7.64 -51.36 2 7 1 81 384.485 3 ↓

Analogs

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Popular Name: 1-benzyl-3-cyano-N-(2-dimethylaminoethyl)pyrrolo[2,3-b]pyridine-5-carboxamide 1-benzyl-3-cyano-N-(2-dimethylam…

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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) 1.81 10.18 -52.09 2 6 1 75 348.43 6 ↓
Hi High (pH 8-9.5) 1.81 7.7 -16.99 1 6 0 74 347.422 6 ↓

Analogs

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Popular Name: 1-benzyl-3-cyano-N-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide 1-benzyl-3-cyano-N-[(2,6-difluor…

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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 11.93 -18.04 1 5 0 71 402.404 5 ↓

Analogs

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Popular Name: N,N,1-trimethyl-6-(4-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]pyridine-2-carboxamide N,N,1-trimethyl-6-(4-methylpiper…

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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) 1.10 6.57 -12.66 0 6 0 58 328.416 2 ↓
Lo Low (pH 4.5-6) 1.10 7.03 -38.37 1 6 1 60 329.424 2 ↓

Analogs

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Popular Name: N6-(2-cyanoethyl)-N2,N2,N6,1-tetramethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-(2-cyanoethyl)-N2,N2,N6,1-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) -0.59 5.4 -18.33 0 7 0 82 313.361 4 ↓
Lo Low (pH 4.5-6) -0.59 5.81 -47.02 1 7 1 83 314.369 4 ↓

Analogs

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Popular Name: N6-[(4-fluorophenyl)methyl]-N2,N2,1-trimethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-[(4-fluorophenyl)methyl]-N2,N…

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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) 1.74 6.22 -13.74 1 6 0 67 354.385 4 ↓
Lo Low (pH 4.5-6) 1.74 6.7 -45.62 2 6 1 68 355.393 4 ↓

Analogs

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Popular Name: N6-(2-indol-1-ylethyl)-N2,N2,1-trimethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-(2-indol-1-ylethyl)-N2,N2,1-t…

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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 8.16 -19.03 1 7 0 72 389.459 5 ↓
Lo Low (pH 4.5-6) 2.09 8.6 -54.29 2 7 1 73 390.467 5 ↓

Analogs

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Popular Name: 1-benzyl-3-cyano-N-[3-(diethylamino)propyl]pyrrolo[2,3-b]pyridine-5-carboxamide 1-benzyl-3-cyano-N-[3-(diethylam…

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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) 2.83 12.33 -50.79 2 6 1 75 390.511 9 ↓

Analogs

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Popular Name: 1-benzyl-3-cyano-N-(2,3,4-trifluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxamide 1-benzyl-3-cyano-N-(2,3,4-triflu…

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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) 3.82 12 -14.71 1 5 0 71 406.367 4 ↓

Analogs

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Popular Name: N2,N2,1-trimethyl-N6-propyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N2,N2,1-trimethyl-N6-propyl-pyrr…

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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) 1.06 3.92 -12.98 1 6 0 67 288.351 4 ↓
Lo Low (pH 4.5-6) 1.06 4.36 -44.57 2 6 1 68 289.359 4 ↓

Analogs

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Popular Name: N6-[2-(1H-indol-3-yl)ethyl]-N2,N2,1-trimethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-[2-(1H-indol-3-yl)ethyl]-N2,N…

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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) 2.13 6.98 -18.08 2 7 0 83 389.459 5 ↓
Lo Low (pH 4.5-6) 2.13 7.42 -50.78 3 7 1 84 390.467 5 ↓

Analogs

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Popular Name: 1-benzyl-3-cyano-N-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-5-carboxamide 1-benzyl-3-cyano-N-(2-fluorophen…

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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) 3.59 11.88 -15.49 1 5 0 71 370.387 4 ↓

Analogs

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Popular Name: 6-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-pyrrolo[3,2-b]pyridine-2-carboxamide 6-(4-benzylpiperazine-1-carbonyl…

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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) 1.24 7.16 -13.37 0 7 0 62 405.502 4 ↓
Lo Low (pH 4.5-6) 1.24 9.81 -101.28 2 7 2 64 407.518 4 ↓
Lo Low (pH 4.5-6) 1.24 9.36 -52.82 1 7 1 63 406.51 4 ↓

Analogs

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Popular Name: N6-butyl-N2,N2,1-trimethyl-pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N6-butyl-N2,N2,1-trimethyl-pyrro…

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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) 1.62 4.69 -13.34 1 6 0 67 302.378 5 ↓
Lo Low (pH 4.5-6) 1.62 5.12 -44.93 2 6 1 68 303.386 5 ↓

Analogs

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Popular Name: N2,N2,1-trimethyl-N6-(2-thienylmethyl)pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N2,N2,1-trimethyl-N6-(2-thienylm…

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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) 1.48 5.27 -12.75 1 6 0 67 342.424 4 ↓
Lo Low (pH 4.5-6) 1.48 5.74 -42.64 2 6 1 68 343.432 4 ↓

Analogs

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Popular Name: N2,N2,1-trimethyl-N6-(4-methyl-1,3-benzothiazol-2-yl)pyrrolo[3,2-b]pyridine-2,6-dicarboxamide N2,N2,1-trimethyl-N6-(4-methyl-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) 2.83 7.5 -16.1 1 7 0 80 393.472 3 ↓
Lo Low (pH 4.5-6) 2.83 7.96 -49.72 2 7 1 81 394.48 3 ↓

Analogs

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Popular Name: 1-benzyl-3-cyano-N,N-dipropyl-pyrrolo[2,3-b]pyridine-5-carboxamide 1-benzyl-3-cyano-N,N-dipropyl-py…

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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) 3.31 12.96 -12.87 0 5 0 62 360.461 7 ↓

Analogs

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Popular Name: 1-benzyl-N-(3-chlorophenyl)-3-cyano-pyrrolo[2,3-b]pyridine-5-carboxamide 1-benzyl-N-(3-chlorophenyl)-3-cy…

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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) 4.13 12.29 -18.9 1 5 0 71 386.842 4 ↓

Analogs

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Popular Name: (1-butylpyrrolo[2,3-b]pyridin-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (1-butylpyrrolo[2,3-b]pyridin-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) 2.23 8.87 -13.14 0 5 0 47 315.417 4 ↓

Analogs

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Popular Name: (1-butylpyrrolo[2,3-b]pyridin-3-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (1-butylpyrrolo[2,3-b]pyridin-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) 2.23 8.98 -13.05 0 5 0 47 315.417 4 ↓

Analogs

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Popular Name: (1-butylpyrrolo[2,3-b]pyridin-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (1-butylpyrrolo[2,3-b]pyridin-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) 2.23 9.02 -12.98 0 5 0 47 315.417 4 ↓

Analogs

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Popular Name: 1-benzyl-N-(2-dimethylaminoethyl)pyrrolo[2,3-b]pyridine-3-carboxamide 1-benzyl-N-(2-dimethylaminoethyl…

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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) 2.07 9.68 -52.71 2 5 1 51 323.42 6 ↓
Hi High (pH 8-9.5) 2.07 7.2 -16.01 1 5 0 50 322.412 6 ↓

Analogs

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Popular Name: 1-benzyl-N-(3-pyridylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide 1-benzyl-N-(3-pyridylmethyl)pyrr…

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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) 2.21 9.6 -15.73 1 5 0 60 342.402 5 ↓
Lo Low (pH 4.5-6) 2.21 10.07 -51.46 2 5 1 61 343.41 5 ↓

Analogs

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Popular Name: 1-benzyl-N-pentyl-pyrrolo[2,3-b]pyridine-3-carboxamide 1-benzyl-N-pentyl-pyrrolo[2,3-b]…

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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) 3.99 10.7 -15.39 1 4 0 47 321.424 7 ↓

Analogs

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Popular Name: 1-benzyl-N-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxamide 1-benzyl-N-(3-fluorophenyl)pyrro…

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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) 3.88 11.35 -14.94 1 4 0 47 345.377 4 ↓

Analogs

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Popular Name: 1-benzyl-N-(3-fluoro-4-methyl-phenyl)pyrrolo[2,3-b]pyridine-3-carboxamide 1-benzyl-N-(3-fluoro-4-methyl-ph…

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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) 4.28 11.99 -19.47 1 4 0 47 359.404 4 ↓

Analogs

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Popular Name: 1-[6-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]ethanone 1-[6-(piperidine-1-carbonyl)-1H-…

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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) 1.25 4.95 -11.78 1 5 0 66 271.32 2 ↓
Lo Low (pH 4.5-6) 1.25 5.39 -38.22 2 5 1 67 272.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-[(2R)-2-methylpiperidine-1-carbonyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]ethanone 1-[6-[(2R)-2-methylpiperidine-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) 1.58 5.29 -11.07 1 5 0 66 285.347 2 ↓
Lo Low (pH 4.5-6) 1.58 5.73 -42.43 2 5 1 67 286.355 2 ↓

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