UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-METHOXYPHENYL)DIPHENYLSULFONIUM TRIFLATE (4-METHOXYPHENYL)DIPHENYLSULFONI…

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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) 3.00 2.47 -6.44 0 1 0 9 293.411 4 ↓

Analogs

5820318
5820318

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Popular Name: 2-(N-BUTOXYCARBONYL)PHENYL ISOCYANATE 2-(N-BUTOXYCARBONYL)PHENYL ISOCY…

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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 2.73 -7.45 0 4 0 55 219.24 6 ↓

Analogs

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Popular Name: Thiazafluron Thiazafluron

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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) 1.03 2.52 -18.29 1 5 0 58 240.21 2 ↓

Analogs

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Popular Name: methyl-2-[5-amino-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate methyl-2-[5-amino-3-(4-methoxyph…

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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) 2.55 0.2 -16.71 2 7 0 92 330.369 5 ↓

Analogs

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Popular Name: 2-[benzamido(propylcarbamoyl)amino]thiazole-4-carboxylic-acid-ethyl-ester 2-[benzamido(propylcarbamoyl)ami…

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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) 2.86 -1.72 -14.07 2 8 0 100 376.438 8 ↓

Analogs

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Popular Name: (5E)-5-[[2-(5-butyl-1H-indol-3-yl)ethylamino]-phenyl-methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6 (5E)-5-[[2-(5-butyl-1H-indol-3-y…

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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) 5.72 14.86 -13.31 3 7 0 100 520.633 9 ↓

Analogs

6637332
6637332
8719675
8719675
388806
388806

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Popular Name: 8-Chloro-7-[2-(4-ethyl-phenyl)-2-oxo-ethyl]-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 8-Chloro-7-[2-(4-ethyl-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) 3.12 1.31 -11.6 0 7 0 78 360.801 4 ↓

Analogs

695528
695528

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Popular Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-methoxyphenyl)-propanamide N-(3-cyano-6-methyl-4,5,6,7-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) 4.61 1.32 -8.97 1 4 0 62 354.475 5 ↓

Analogs

6253625
6253625
695528
695528

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Popular Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-methoxyphenyl)-propanamide N-(3-cyano-6-methyl-4,5,6,7-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) 4.61 1.32 -8.98 1 4 0 62 354.475 5 ↓

Analogs

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Popular Name: 2-[(Chloroacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide 2-[(Chloroacetyl)amino]-4-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) 1.32 -3.26 -12.84 3 4 0 72 260.746 4 ↓

Analogs

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Popular Name: methyl 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) 2.95 7.4 -20.75 1 9 0 108 441.465 5 ↓

Analogs

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Popular Name: N-[[5-chloro-3-(trifluoromethyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl]methyl]-4-(3,5-dim N-[[5-chloro-3-(trifluoromethyl)…

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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) 3.75 2.2 -17.1 1 6 0 64 447.848 5 ↓
Mid Mid (pH 6-8) 3.75 2.38 -46.51 2 6 1 65 448.856 5 ↓

Analogs

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Popular Name: 2-cyano-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]acetamide 2-cyano-N-[4-(2,3-dihydro-1,4-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) 0.81 5.13 -22.07 1 6 0 84 301.327 3 ↓
Hi High (pH 8-9.5) 0.99 3.64 -45.48 0 6 -1 91 300.319 3 ↓

Analogs

5062873
5062873

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Popular Name: benzyl 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) 3.85 7.68 -11.56 3 9 0 123 469.538 14 ↓

Analogs

17000322
17000322

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Popular Name: benzyl 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) 3.85 -2.73 -11.82 3 9 0 122 469.538 14 ↓

Analogs

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Popular Name: N-(2-chloro-6-methyl-phenyl)-3-methyl-benzamide N-(2-chloro-6-methyl-phenyl)-3-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) 4.28 1.39 -9.8 1 2 0 29 259.736 2 ↓

Analogs

640876
640876
641367
641367

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Popular Name: N-(2-methoxy-5-methyl-phenyl)carbamic-acid-(2-bromo-4,5-dimethyl-phenyl)-ester N-(2-methoxy-5-methyl-phenyl)car…

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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) 5.01 0.83 -9.41 1 4 0 47 364.239 4 ↓

Analogs

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Popular Name: 3-ethyl-5-methyl-6-phenyl-isoxazolo[4,5-c]pyridin-4-one 3-ethyl-5-methyl-6-phenyl-isoxaz…

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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 2.3 -8.99 0 4 0 48 254.289 2 ↓

Analogs

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Popular Name: 1-[2-methyl-5-(4-pyridylmethylcarbamoylamino)phenyl]-3-(4-pyridylmethyl)urea 1-[2-methyl-5-(4-pyridylmethylca…

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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 -6.17 -16.2 4 8 0 108 390.447 6 ↓

Analogs

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Popular Name: N-(o-tolyl)carbamic-acid-3-pyridyl-ester N-(o-tolyl)carbamic-acid-3-pyrid…

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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 0.41 -8.46 1 4 0 51 228.251 3 ↓
Lo Low (pH 4.5-6) 2.34 0.52 -36.3 2 4 1 52 229.259 3 ↓

Analogs

2165263
2165263
34622642
34622642

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Popular Name: (E)-p-tolyl(veratrylidene)amine (E)-p-tolyl(veratrylidene)amine

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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 1.89 -7.86 0 3 0 30 255.317 4 ↓

Analogs

34597822
34597822

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Popular Name: (4aS,9aR)-2,3-dimethyl-1,4,4a,9a-tetrahydroanthracene-9,10-quinone (4aS,9aR)-2,3-dimethyl-1,4,4a,9a…

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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) 3.55 8.62 -5.21 0 2 0 34 240.302 0 ↓
Ref Reference (pH 7) 3.55 8.63 -5.23 0 2 0 34 240.302 0 ↓
Ref Reference (pH 7) 3.55 8.42 -6.11 0 2 0 34 240.302 0 ↓

Analogs

21794754
21794754
21801353
21801353
21812372
21812372
21812373
21812373
37086936
37086936

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Popular Name: (3-chlorophenyl)-veratryl-amine (3-chlorophenyl)-veratryl-amine

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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) 3.49 -0.04 -6.69 1 3 0 30 277.751 5 ↓

Analogs

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Popular Name: N-(4-chloro-2-methyl-phenyl)-3-(2-fluorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamid N-(4-chloro-2-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) 5.08 12.38 -23.15 1 5 0 64 441.915 4 ↓

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-3-(2-fluorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide N-(2-bromo-4-methyl-phenyl)-3-(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) 5.22 12.46 -21.04 1 5 0 64 486.366 4 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-3-(2-fluorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide N-(2-chlorophenyl)-3-(2-fluorobe…

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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) 4.66 0.21 -20.83 1 5 0 63 427.888 4 ↓

Analogs

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Popular Name: 3-(2-fluorobenzyl)-4-keto-5-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamid 3-(2-fluorobenzyl)-4-keto-5-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) 4.90 12.04 -26.62 1 5 0 64 461.44 5 ↓

Analogs

3211184
3211184
3211188
3211188
6237798
6237798
8858225
8858225

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Popular Name: (2Z,5R)-2-(4-chlorobenzylidene)-3-keto-7-methyl-N,5-diphenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxam (2Z,5R)-2-(4-chlorobenzylidene)-…

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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) 6.88 -0.11 -13.46 1 5 0 63 485.996 4 ↓

Analogs

32665869
32665869
3211184
3211184

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Popular Name: 8-[(4-chlorophenyl)methylene]-4-methyl-9-oxo-N,2-diphenyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-die 8-[(4-chlorophenyl)methylene]-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) 6.88 -0.39 -14.57 1 5 0 63 485.996 4 ↓

Analogs

3211184
3211184
3211188
3211188
6237798
6237798
8858225
8858225

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Popular Name: (2Z,5S)-2-(4-chlorobenzylidene)-3-keto-7-methyl-N,5-diphenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxam (2Z,5S)-2-(4-chlorobenzylidene)-…

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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) 6.88 -0.46 -14.42 1 5 0 63 485.996 4 ↓

Analogs

8858225
8858225
32665869
32665869
3211184
3211184

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Popular Name: 8-[(4-chlorophenyl)methylene]-4-methyl-9-oxo-N,2-diphenyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-die 8-[(4-chlorophenyl)methylene]-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) 6.88 -0.57 -14.51 1 5 0 63 485.996 4 ↓

Analogs

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Popular Name: N-(3-(4-hydroxyanilino)-4-oxo-1(4H)-naphthalenylidene)-2,4,6-trimethylbenzenesulfonamide N-(3-(4-hydroxyanilino)-4-oxo-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) 5.93 7.95 -15.32 2 6 0 96 446.528 4 ↓
Ref Reference (pH 7) 5.93 8.03 -15.25 2 6 0 96 446.528 4 ↓

Analogs

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Popular Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]oxy]-N-[[5-(2,4-dichlorophenyl)-2-furyl]methyleneam 2-[[3-cyano-4-(methoxymethyl)-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) 4.66 8.64 -25.99 1 8 0 110 473.316 8 ↓
Lo Low (pH 4.5-6) 4.66 9.33 -61.92 2 8 1 111 474.324 8 ↓

Analogs

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Popular Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]oxy]-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]meth 2-[[3-cyano-4-(methoxymethyl)-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) 5.11 10.18 -22.14 1 8 0 106 513.381 10 ↓

Analogs

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Popular Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]oxy]-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]meth 2-[[3-cyano-4-(methoxymethyl)-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) 5.13 10.19 -21.17 1 8 0 106 513.381 10 ↓
Lo Low (pH 4.5-6) 5.13 10.89 -57.5 2 8 1 107 514.389 10 ↓

Analogs

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Popular Name: 2-(2,4-Dichloro-phenyl)-quinoline-4-carboxylic acid (2,5-dimethyl-phenyl)-amide 2-(2,4-Dichloro-phenyl)-quinolin…

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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) 7.06 13.53 -12.29 1 3 0 42 421.327 3 ↓

Analogs

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Popular Name: N-(2,6-dibromo-4-chloro-phenyl)furan-2-carboxamide N-(2,6-dibromo-4-chloro-phenyl)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) 4.24 -0.45 -6.9 1 3 0 42 379.435 2 ↓

Analogs

20358977
20358977

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Popular Name: N,N'-bis(4-fluorophenyl)decane-1,10-diamine N,N'-bis(4-fluorophenyl)decane-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) 7.18 0.24 -5.84 2 2 0 24 360.492 13 ↓

Analogs

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Popular Name: N-(3-ethylphenyl)carbamic-acid-[4-(methylthio)phenyl]-ester N-(3-ethylphenyl)carbamic-acid-[…

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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) 4.34 0.64 -8.42 1 3 0 38 287.384 5 ↓

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Popular Name: methyl 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) 3.08 -2.25 -13.92 1 7 0 92 444.534 8 ↓

Analogs

12511058
12511058
3244643
3244643

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Popular Name: N-(4-oxo-3-(4-toluidino)-1(4H)-naphthalenylidene)-2-thiophenesulfonamide N-(4-oxo-3-(4-toluidino)-1(4H)-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) 5.60 8.17 -15.75 1 5 0 76 408.504 4 ↓

Analogs

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Popular Name: [9-amino-2-(4-chlorophenyl)-4-cyclopropyl-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-8-yl]-(2-t [9-amino-2-(4-chlorophenyl)-4-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) 6.22 -1.68 -8.64 2 3 0 55 410.951 4 ↓
Lo Low (pH 4.5-6) 6.22 -1.63 -32.96 3 3 1 57 411.959 4 ↓

Analogs

8683951
8683951

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Popular Name: N-[2-(1H-benzoimidazol-2-yl)phenyl]-4-(cyclohexyl-methyl-sulfamoyl)-benzamide N-[2-(1H-benzoimidazol-2-yl)phen…

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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) 5.61 11.16 -15.61 2 7 0 95 488.613 6 ↓

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Popular Name: BRD-A65836125-001-03-0 BRD-A65836125-001-03-0

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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) 2.69 7.53 -16.53 1 5 0 68 294.31 3 ↓

Analogs

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Popular Name: BRD-A65836125-001-03-0 BRD-A65836125-001-03-0

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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) 2.69 7.49 -16.48 1 5 0 68 294.31 3 ↓

Analogs

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Popular Name: N-(2-cyclohexen-1-ylethyl)-4-(1-methylindol-3-yl)butyramide N-(2-cyclohexen-1-ylethyl)-4-(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) 4.61 0.31 -12.96 1 3 0 34 324.468 7 ↓

Analogs

2506000
2506000

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Popular Name: methyl 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) 3.72 3.54 -7.87 0 4 0 48 260.289 5 ↓

Analogs

373473
373473

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Popular Name: methyl 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) 3.72 3.31 -8.35 0 4 0 48 260.289 5 ↓

Analogs

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Popular Name: methyl 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) 2.96 2.72 -10.48 0 6 0 67 292.287 7 ↓

Analogs

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Popular Name: 5-(4-Methoxy-phenoxymethyl)-furan-2-carboxylic acid methyl ester 5-(4-Methoxy-phenoxymethyl)-fura…

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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) 2.97 2.68 -9.54 0 5 0 57 262.261 6 ↓

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