UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(4S)-4-methyl-2,5-dioxo-4-phenyl-imidazolidin-1-yl]indane-5-carboxamide N-[(4S)-4-methyl-2,5-dioxo-4-phe…

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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) 1.40 7.42 -19.3 2 6 0 79 349.39 3 ↓
Hi High (pH 8-9.5) 2.48 6.78 -62 1 6 -1 85 348.382 3 ↓
Hi High (pH 8-9.5) 1.03 5.98 -53.61 1 6 -1 85 348.382 3 ↓

Analogs

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Popular Name: (Z)-3-(2,4-dimethylphenyl)-N-(3-methylsulfonylphenyl)prop-2-enamide (Z)-3-(2,4-dimethylphenyl)-N-(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) 2.96 6.47 -20.77 1 4 0 63 329.421 4 ↓

Analogs

9154600
9154600

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Popular Name: (Z)-3-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide (Z)-3-(2-cyanophenyl)-N-(3,4-dih…

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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) 2.77 7.89 -11.33 1 5 0 71 320.348 3 ↓

Analogs

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Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea 1-[2-(3,4-dihydro-1H-isoquinolin…

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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) 2.04 6.91 -46.95 3 7 1 73 372.493 7 ↓
Mid Mid (pH 6-8) 2.04 4.81 -12.46 2 7 0 71 371.485 7 ↓

Analogs

13042008
13042008
13042005
13042005

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Popular Name: [(1R)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(1S,2R,3R)-2,3-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) 3.91 9.52 -14.74 1 7 0 93 468.591 7 ↓

Analogs

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Popular Name: (3-methylquinoxalin-2-yl)methyl (3-methylquinoxalin-2-yl)methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 8.01 -16.37 0 7 0 89 443.5 6 ↓

Analogs

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Popular Name: [2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] [2-(4-fluorophenyl)-1-methyl-2-o…

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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) 3.72 0.06 -13.66 0 6 0 81 437.464 7 ↓

Analogs

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Popular Name: [2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] [2-(4-fluorophenyl)-1-methyl-2-o…

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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) 3.72 0.09 -14.49 0 6 0 81 437.464 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-fluorophenyl)-2-hydroxy-ethyl]-N,2,2-trimethyl-propanamide N-[(2S)-2-(4-fluorophenyl)-2-hyd…

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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) 2.34 4.9 -10.71 1 3 0 41 253.317 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-fluorophenyl)-2-hydroxy-ethyl]-N,2,2-trimethyl-propanamide N-[(2R)-2-(4-fluorophenyl)-2-hyd…

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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) 2.34 5.05 -9.25 1 3 0 41 253.317 4 ↓

Analogs

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Popular Name: (2S)-1-(azepan-1-yl)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one (2S)-1-(azepan-1-yl)-2-[3-(1H-be…

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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) 2.49 9.42 -45.1 2 5 1 53 327.452 3 ↓
Mid Mid (pH 6-8) 2.49 6.21 -12.18 1 5 0 52 326.444 3 ↓
Lo Low (pH 4.5-6) 2.49 9.83 -105.13 3 5 2 55 328.46 3 ↓

Analogs

12997166
12997166

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Popular Name: 2-(2,5-dichlorophenoxy)-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2- 2-(2,5-dichlorophenoxy)-N-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.49 9.93 -25.46 1 7 0 79 450.322 5 ↓

Analogs

12997168
12997168

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Popular Name: 2-(2,5-dichlorophenoxy)-N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2- 2-(2,5-dichlorophenoxy)-N-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.49 9.92 -20.55 1 7 0 79 450.322 5 ↓

Analogs

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Popular Name: N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]-2-[(2-phenyla N-methyl-N-[2-[(4S)-4-methyl-2-o…

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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) 2.44 7.4 -22.94 2 8 0 99 422.485 6 ↓

Analogs

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Popular Name: N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]-2-[(2-phenyla N-methyl-N-[2-[(4R)-4-methyl-2-o…

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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) 2.44 7.39 -20.91 2 8 0 99 422.485 6 ↓

Analogs

9156622
9156622

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Popular Name: N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl]-1H-inda N-methyl-N-[(5-methyl-3-oxo-2,6-…

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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) 3.17 7.2 -24.43 2 8 0 98 391.431 3 ↓

Analogs

9156623
9156623

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Popular Name: N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl]-1H-inda N-methyl-N-[(5-methyl-3-oxo-2,6-…

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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) 3.17 7.19 -24.82 2 8 0 98 391.431 3 ↓

Analogs

8724896
8724896

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Popular Name: N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl]-2-(2-ph N-methyl-N-[(5-methyl-3-oxo-2,6-…

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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) 2.32 -1.4 -24.74 2 9 0 108 438.484 7 ↓

Analogs

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Popular Name: 7-fluoro-5-[(3-fluorophenyl)methylsulfonyl]-1-methyl-3,4-dihydro-2H-1,5-benzodiazepine 7-fluoro-5-[(3-fluorophenyl)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) 3.48 7.91 -12.66 0 4 0 41 352.406 3 ↓

Analogs

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Popular Name: N-[4-[(2-ethylphenyl)methylsulfamoyl]phenyl]propanamide N-[4-[(2-ethylphenyl)methylsulfa…

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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) 3.33 5.52 -13.85 2 5 0 75 346.452 7 ↓

Analogs

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Popular Name: N,N-diethyl-4-[(2-ethylphenyl)methylsulfamoyl]benzamide N,N-diethyl-4-[(2-ethylphenyl)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) 2.99 7.58 -12.82 1 5 0 66 374.506 8 ↓

Analogs

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Popular Name: N-[(2-ethylphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide N-[(2-ethylphenyl)methyl]-4-(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) 3.22 5.32 -10.93 1 5 0 65 349.452 9 ↓

Analogs

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Popular Name: 1-acetyl-N-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide 1-acetyl-N-[(2-ethylphenyl)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) 3.22 7.46 -17.63 1 5 0 66 372.49 5 ↓

Analogs

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Popular Name: N-methyl-3-[2-[(4-propylphenyl)sulfonylamino]ethyl]benzamide N-methyl-3-[2-[(4-propylphenyl)s…

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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) 3.28 5.79 -17.49 2 5 0 75 360.479 8 ↓

Analogs

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Popular Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-2-cyano-3-(5-methyl-2-thienyl)-3-oxo-propanamide (2R)-N-(3-chloro-4-methoxy-pheny…

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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

Analogs

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Popular Name: (E)-N-[1-(cyclohexanecarbonyl)-4-piperidyl]-3-phenyl-but-2-enamide (E)-N-[1-(cyclohexanecarbonyl)-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) 3.68 10.21 -9.85 1 4 0 49 354.494 4 ↓

Analogs

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Popular Name: N-[3-[5-(2-pyrazol-1-ylethylsulfanyl)tetrazol-1-yl]phenyl]acetamide N-[3-[5-(2-pyrazol-1-ylethylsulf…

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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) 0.99 5.66 -24.77 1 8 0 91 329.389 6 ↓

Analogs

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Popular Name: N-(3-Chloro-phenyl)-2-(5-pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide N-(3-Chloro-phenyl)-2-(5-pyridin…

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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 6.5 -11.24 2 6 0 84 345.815 5 ↓
Hi High (pH 8-9.5) 2.81 6.31 -43.68 1 6 -1 82 344.807 5 ↓

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) 2.48 6.42 -16.1 2 10 0 131 483.518 9 ↓

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) 2.48 6.41 -16.11 2 10 0 131 483.518 9 ↓

Analogs

13042005
13042005
13042006
13042006
13042007
13042007
13042008
13042008

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Popular Name: 1-[(2-methylcyclohexyl)carbamoyl]ethyl 1-[(2-methylcyclohexyl)carbamoyl…

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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) 3.66 9.89 -15.17 1 7 0 93 454.564 7 ↓

Analogs

13042005
13042005
13042006
13042006
13042007
13042007
13042008
13042008

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Popular Name: 1-[(2-methylcyclohexyl)carbamoyl]ethyl 1-[(2-methylcyclohexyl)carbamoyl…

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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) 3.66 9.5 -15.68 1 7 0 93 454.564 7 ↓

Analogs

13042005
13042005
13042006
13042006
13042007
13042007
13042008
13042008

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Popular Name: 1-[(2-methylcyclohexyl)carbamoyl]ethyl 1-[(2-methylcyclohexyl)carbamoyl…

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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) 3.66 9.48 -14.81 1 7 0 93 454.564 7 ↓

Analogs

8724897
8724897

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Popular Name: N-methyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl)carbonylmethyl]-2-(2-ph N-methyl-N-[(5-methyl-3-oxo-2,6-…

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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) 2.32 -1.41 -24.4 2 9 0 108 438.484 7 ↓

Analogs

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Popular Name: 3-allyl-4,5-dimethoxy-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-ox 3-allyl-4,5-dimethoxy-N-methyl-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) 3.36 9.14 -19.92 1 8 0 88 451.523 7 ↓

Analogs

13042005
13042005
13042006
13042006
13042007
13042007
13042008
13042008

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Popular Name: 1-[(2-methylcyclohexyl)carbamoyl]ethyl 1-[(2-methylcyclohexyl)carbamoyl…

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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) 3.66 9.88 -14.36 1 7 0 93 454.564 7 ↓

Analogs

8849832
8849832

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Popular Name: 1-[(4-carbamoylphenyl)carbamoyl]ethyl 1-[(4-carbamoylphenyl)carbamoyl]…

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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) 2.04 -5 -24.14 3 9 0 135 477.514 8 ↓

Analogs

8849835
8849835

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Popular Name: 1-[(4-carbamoylphenyl)carbamoyl]ethyl 1-[(4-carbamoylphenyl)carbamoyl]…

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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) 2.04 -4.94 -20.65 3 9 0 135 477.514 8 ↓

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) 2.78 -1.01 -19.69 0 9 0 110 498.573 9 ↓

Analogs

9690802
9690802

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Popular Name: (Z)-3-(2-cyanophenyl)-N-(3-cyanophenyl)prop-2-enamide (Z)-3-(2-cyanophenyl)-N-(3-cyano…

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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) 2.73 8.35 -10.79 1 4 0 77 273.295 3 ↓

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) 2.78 -0.96 -19 0 9 0 110 498.573 9 ↓

Analogs

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Popular Name: (2R)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-N-carbamoyl-propanamide (2R)-2-[3-(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) 0.11 3.37 -56.41 5 7 1 105 288.331 3 ↓
Mid Mid (pH 6-8) 0.11 0.37 -22.9 4 7 0 104 287.323 3 ↓
Lo Low (pH 4.5-6) 0.11 3.8 -114.96 6 7 2 107 289.339 3 ↓

Analogs

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Popular Name: (3S)-N-cyclopropyl-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine (3S)-N-cyclopropyl-N-[(2S)-2-hyd…

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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 9.08 -20.21 1 6 0 70 408.498 7 ↓

Analogs

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Popular Name: (3R)-N-cyclopropyl-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine (3R)-N-cyclopropyl-N-[(2S)-2-hyd…

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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 8.94 -17.8 1 6 0 70 408.498 7 ↓

Analogs

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Popular Name: (3S)-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenyl-ethyl]-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine (3S)-N-cyclopropyl-N-[(2R)-2-hyd…

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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 9.41 -20.4 1 6 0 70 408.498 7 ↓

Analogs

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Popular Name: (3R)-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenyl-ethyl]-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine (3R)-N-cyclopropyl-N-[(2R)-2-hyd…

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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 8.79 -16.28 1 6 0 70 408.498 7 ↓

Analogs

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Popular Name: (3S)-N-(4-bromo-2-methyl-phenyl)-1-(2-methoxy-5-methyl-phenyl)-N-methyl-5-oxo-pyrrolidine-3-carboxam (3S)-N-(4-bromo-2-methyl-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) 4.07 11.1 -19.18 0 5 0 50 431.33 4 ↓

Analogs

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Popular Name: (3R)-N-(4-bromo-2-methyl-phenyl)-1-(2-methoxy-5-methyl-phenyl)-N-methyl-5-oxo-pyrrolidine-3-carboxam (3R)-N-(4-bromo-2-methyl-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) 4.07 11.13 -16.67 0 5 0 50 431.33 4 ↓

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide 1-(2,5-dimethylphenyl)-N-(3,5-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) 2.06 6.3 -13.07 2 7 0 90 339.399 3 ↓

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-6-oxo-N-prop-2-ynyl-4,5-dihydropyridazine-3-carboxamide 1-(2,5-dimethylphenyl)-6-oxo-N-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) 1.76 6.34 -10.06 1 5 0 62 283.331 3 ↓

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