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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: 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) 2.52 7.42 -14.02 2 8 0 103 376.409 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 2.52 7.45 -13.74 2 8 0 103 376.409 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-benzofuran-2-carboxamide N-[[5-(2-chlorophenyl)-1,3,4-oxa…

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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) 4.27 7.9 -16.87 0 6 0 72 395.846 6 ↓

Analogs

6283474
6283474

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Popular Name: acetic-acid-[4-(5,7-diketobenzo[d][2]benzazepin-6-yl)phenyl]-ester acetic-acid-[4-(5,7-diketobenzo[…

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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) 3.47 11.68 -17.84 0 5 0 65 357.365 3 ↓

Analogs

416415
416415

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Popular Name: N-(4-methylthiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetamide N-(4-methylthiazol-2-yl)-2-[(5-p…

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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) 2.61 2.49 -12.22 1 6 0 81 332.41 5 ↓

Analogs

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Popular Name: ethyl 2-{[4-(diethylamino)benzyl]amino}-3-[(2,5-dimethoxyanilino)carbonyl]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate ethyl 2-{[4-(diethylamino)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) 5.15 -1.85 -17.52 2 9 0 92 566.724 12 ↓

Analogs

9680768
9680768

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Popular Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)amino-quinoline-4-carboxamide N-[2-(3,4-diethoxyphenyl)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) 6.73 14.32 -17.48 2 6 0 72 483.612 10 ↓

Analogs

6455506
6455506
15706538
15706538

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-piperidino-prop-2-en-1-one (E)-3-(2-chloroimidazo[1,2-a]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) 3.15 8.78 -12.06 0 4 0 38 289.766 2 ↓

Analogs

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Popular Name: N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methyl-benzofuran-2-carboxamide N-[(3-bromophenyl)methyl]-N-(1,1…

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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) 3.19 9.26 -16.89 0 5 0 68 480.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methyl-benzofuran-2-carboxamide N-[(3-bromophenyl)methyl]-N-(1,1…

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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) 3.19 9.26 -16.21 0 5 0 68 480.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-amino-7-methylsulfanyl-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile 9-amino-7-methylsulfanyl-8-azasp…

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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) 0.65 5.34 -12 3 4 0 86 246.339 1 ↓

Analogs

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Popular Name: 2-[4-(4-chlorophenyl)-1-phenyl-imidazol-2-yl]sulfonyl-N-(2,6-dimethylphenyl)-acetamide 2-[4-(4-chlorophenyl)-1-phenyl-i…

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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 11.36 -22.91 1 6 0 81 479.989 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,6-difluoro-phenyl)-5-(2-methoxyphenyl)-isoxazole-3-carboxamide N-(2-bromo-4,6-difluoro-phenyl)-…

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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 7.58 -9.2 1 5 0 64 409.186 4 ↓

Analogs

4759066
4759066
4759067
4759067
4759069
4759069
2459315
2459315
2496525
2496525

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-cyclopropylcarbonyl-N-(3-ethoxypropyl)indoline-7-sulfonamide 5-bromo-1-cyclopropylcarbonyl-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) 2.64 7.13 -21.2 1 6 0 76 431.352 8 ↓

Analogs

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Popular Name: 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile 2-[4-(4-fluorobenzoyl)phenyl]-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) 5.07 12.19 -12.32 0 2 0 41 333.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile 2-[4-(4-fluorobenzoyl)phenyl]-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) 5.07 12.18 -15.29 0 2 0 41 333.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide 2-[(4-amino-5-methyl-1,2,4-triaz…

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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) -0.51 2.94 -21.5 4 8 0 115 272.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl pentanoate [1-(4-chlorophenyl)-1H-1,2,3-tri…

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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 8.79 -10.87 0 5 0 57 293.754 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(acetylamino)phenyl 2-methylbenzenesulfonate 4-(acetylamino)phenyl 2-methylbe…

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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) 2.52 4.85 -18.48 1 5 0 72 305.355 4 ↓

Analogs

8694342
8694342

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Popular Name: N-[1-[(2-benzooxazol-2-ylsulfanylacetyl)aminocarbamoyl]propyl]-2-benzoylamino-benzamide N-[1-[(2-benzooxazol-2-ylsulfany…

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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) 3.16 6.2 -19.33 4 10 0 142 531.594 10 ↓

Analogs

8694343
8694343

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Popular Name: N-[1-[(2-benzooxazol-2-ylsulfanylacetyl)aminocarbamoyl]propyl]-2-benzoylamino-benzamide N-[1-[(2-benzooxazol-2-ylsulfany…

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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) 3.16 6.16 -19.16 4 10 0 142 531.594 10 ↓

Analogs

614266
614266

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Popular Name: 2-Furancarboxamide, N-(2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)tetrahydro- 2-Furancarboxamide, N-(2,3-dihyd…

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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) 0.65 1.6 -11.03 2 6 0 88 260.249 2 ↓
Hi High (pH 8-9.5) 1.11 -1.01 -44.94 1 6 -1 91 259.241 2 ↓

Analogs

614265
614265

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Popular Name: 2-Furancarboxamide, N-(2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)tetrahydro- 2-Furancarboxamide, N-(2,3-dihyd…

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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) 0.65 -3.45 -11.08 2 6 0 88 260.249 2 ↓

Analogs

31483335
31483335

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-3-(4-methylphenoxy)propionamide N-(3-fluoro-4-methyl-phenyl)-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) 4.06 8.2 -11.67 1 3 0 38 287.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[4-(2-furylcarbonyl)piperazin-1-yl]carbonylmethylsulfanyl]benzoimidazol-1-yl]-1-pyrrolidin-1-y 2-[2-[[4-(2-furylcarbonyl)pipera…

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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 10.27 -23.64 0 9 0 92 481.578 6 ↓
Lo Low (pH 4.5-6) 1.70 10.72 -47.04 1 9 1 93 482.586 6 ↓

Analogs

8733309
8733309
26507668
26507668
39963119
39963119

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-butyl-2-pyrrolin-3-one 5-amino-4-(1,3-benzothiazol-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) 1.31 7.64 -16.47 2 4 0 59 287.388 4 ↓
Mid Mid (pH 6-8) 3.95 6.91 -55.65 2 4 -1 67 286.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoic-acid-methyl 2-[[(1S)-1-ethyl-6-methyl-3,4-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) 3.76 10.18 -10.17 1 6 0 64 341.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoic-acid-methyl 2-[[(1R)-1-ethyl-6-methyl-3,4-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) 3.76 10.15 -10.11 1 6 0 64 341.411 4 ↓

Analogs

6996060
6996060
8647945
8647945
12339549
12339549
12620341
12620341
12620344
12620344

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzoyloxy)-2-[(benzoyloxy)methyl]-5-methoxytetrahydrofuran-3-yl benzoate 4-(benzoyloxy)-2-[(benzoyloxy)me…

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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) 5.47 14.53 -13.98 0 8 0 97 476.481 11 ↓

Analogs

4557012
4557012
6996060
6996060
8647945
8647945
12339549
12339549
12620341
12620341

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzoyloxy)-2-[(benzoyloxy)methyl]-5-methoxytetrahydrofuran-3-yl benzoate 4-(benzoyloxy)-2-[(benzoyloxy)me…

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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) 5.47 14.11 -15.98 0 8 0 97 476.481 11 ↓

Analogs

4557011
4557011
4557012
4557012
6996060
6996060
8647945
8647945
12339549
12339549

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzoyloxy)-2-[(benzoyloxy)methyl]-5-methoxytetrahydrofuran-3-yl benzoate 4-(benzoyloxy)-2-[(benzoyloxy)me…

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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) 5.47 14.51 -15.02 0 8 0 97 476.481 11 ↓

Analogs

4557010
4557010
4557011
4557011
4557012
4557012
6996060
6996060
8647945
8647945

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzoyloxy)-2-[(benzoyloxy)methyl]-5-methoxytetrahydrofuran-3-yl benzoate 4-(benzoyloxy)-2-[(benzoyloxy)me…

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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) 5.47 14.79 -16.07 0 8 0 97 476.481 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 3.54 7.63 -13.72 2 7 0 84 407.47 7 ↓

Analogs

4248198
4248198

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-phenylsulfonyl-5-(2-thienyl)-3,4-dihydropyrazol-3-yl]phenol 3-[2-phenylsulfonyl-5-(2-thienyl…

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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 6.14 -15.46 1 5 0 70 384.482 4 ↓

Analogs

4248199
4248199

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-phenylsulfonyl-5-(2-thienyl)-3,4-dihydropyrazol-3-yl]phenol 3-[2-phenylsulfonyl-5-(2-thienyl…

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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 5.62 -13.4 1 5 0 70 384.482 4 ↓

Analogs

25460742
25460742
36635633
36635633

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (3R)-3-[4-(2-fluorophenyl)pipera…

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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 7.75 -12.04 0 6 0 53 383.423 4 ↓
Ref Reference (pH 7) 2.13 7.74 -13.74 0 6 0 53 383.423 4 ↓
Mid Mid (pH 6-8) 2.13 9.9 -49.29 1 6 1 54 384.431 4 ↓

Analogs

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Popular Name: N-[2-[(N'E)-N'-(2,4-dihydroxybenzylidene)hydrazino]-2-keto-ethyl]-2,2-diphenyl-acetamide N-[2-[(N'E)-N'-(2,4-dihydroxyben…

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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) 3.12 4.06 -17.11 4 7 0 111 403.438 7 ↓
Hi High (pH 8-9.5) 3.12 4.83 -58.37 3 7 -1 114 402.43 7 ↓

Analogs

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Popular Name: 4-[3,4-diketo-2-(p-tolyl)cyclobuten-1-yl]piperazine-1-carboxylic-acid-ethyl-ester 4-[3,4-diketo-2-(p-tolyl)cyclobu…

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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) 2.46 8.28 -10.89 0 6 0 67 328.368 4 ↓

Analogs

32145014
32145014

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Popular Name: 2-hydroxy-N-[(E)-4-pyridylmethyleneamino]benzamide 2-hydroxy-N-[(E)-4-pyridylmethyl…

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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 3.66 -16.64 2 5 0 75 241.25 3 ↓
Hi High (pH 8-9.5) 2.30 4.67 -60.77 1 5 -1 77 240.242 3 ↓

Analogs

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Popular Name: methyl 2-amino-4-(2-chloro-6-fluorophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carboxylate methyl 2-amino-4-(2-chloro-6-flu…

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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 3.35 -17.3 3 7 0 112 381.743 4 ↓
Ref Reference (pH 7) 1.24 3.36 -17.42 3 7 0 112 381.743 4 ↓

Analogs

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Popular Name: 3,4-dimethoxy-N-[(2-methyl-4-quinolyl)methyl]benzamide 3,4-dimethoxy-N-[(2-methyl-4-qui…

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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) 2.85 6.69 -12.87 1 5 0 60 336.391 5 ↓
Mid Mid (pH 6-8) 2.85 7.08 -39.04 2 5 1 62 337.399 5 ↓

Analogs

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Popular Name: 6-chloro-4-methyl-2-morpholinoquinoline 6-chloro-4-methyl-2-morpholinoqu…

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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) 3.57 7.13 -6.72 0 3 0 25 262.74 1 ↓

Analogs

2599319
2599319

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Popular Name: isopropyl 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) 4.39 10.46 -9.36 0 3 0 36 270.328 6 ↓

Analogs

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Popular Name: N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-benzimidazol-5-yl]benzamide N-[2-[(4-acetylpiperazin-1-yl)me…

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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 7.02 -18.5 1 7 0 70 391.475 4 ↓
Mid Mid (pH 6-8) 1.53 7.71 -43.02 2 7 1 72 392.483 4 ↓
Lo Low (pH 4.5-6) 1.53 9.23 -55.91 2 7 1 72 392.483 4 ↓

Analogs

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Popular Name: 5H-benzimidazo[1,2-d][1,4]benzodiazepin-6(7H)-one 5H-benzimidazo[1,2-d][1,4]benzod…

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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 6.4 -12.12 1 4 0 47 249.273 0 ↓
Mid Mid (pH 6-8) 2.60 6.83 -28.24 2 4 1 48 250.281 0 ↓

Analogs

33728762
33728762

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Popular Name: N-[4-phenyl-3-(p-tolyl)thiazol-3-ium-2-yl]acetamide N-[4-phenyl-3-(p-tolyl)thiazol-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) 0.60 10.51 -24.25 1 3 1 33 309.414 3 ↓
Lo Low (pH 4.5-6) 0.60 9.49 -14.68 2 3 0 36 310.422 3 ↓

Analogs

6612777
6612777

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Popular Name: 2-[2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]thiazol-4-yl]acetic-acid-ethyl-ester 2-[2-[(7-hydroxy-2-keto-chromen-…

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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 7.52 -19.83 1 6 0 90 377.443 7 ↓
Hi High (pH 8-9.5) 3.34 8.3 -52.22 0 6 -1 92 376.435 7 ↓

Analogs

8611848
8611848

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Popular Name: 1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-indolin-1-yl-propyl)indol-3-yl]-prop-2-en-1-one 1-(4-ethoxyphenyl)-3-[1-(2-hydro…

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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) 5.36 14.16 -18.92 1 5 0 55 466.581 9 ↓

Analogs

8611851
8611851

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Popular Name: 1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-indolin-1-yl-propyl)indol-3-yl]-prop-2-en-1-one 1-(4-ethoxyphenyl)-3-[1-(2-hydro…

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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) 5.36 14.24 -18.84 1 5 0 55 466.581 9 ↓

Analogs

6529728
6529728

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Popular Name: 4-bromo-N-[7-(4-methoxyphenyl)-3-oxo-3$l^{4}-thia-6,7-diazabicyclo[3.3.0]octa-5,8-dien-8-yl]-benzami 4-bromo-N-[7-(4-methoxyphenyl)-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) 2.51 7.66 -17.49 1 6 0 73 446.326 4 ↓

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