UCSF

Default-decoys (Public by e8795623) Automatically generated decoys from Default Purchasability Report

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Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-7-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]-3,5,7,8-tetrazabicyclo[4.3 N-(3-chloro-4-methyl-phenyl)-7-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) 5.76 -2.8 -13.81 1 10 0 107 478.944 5 ↓

Analogs

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Popular Name: 7-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]-N-(o-tolyl)-3,5,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10- 7-methyl-4-[4-(4-nitrophenyl)pip…

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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 -2.37 -13.81 1 10 0 107 444.499 5 ↓

Analogs

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Popular Name: dimethyl-[2-(4-phenoxyphenyl)aminoethyl]-phenyl-BLAHdione dimethyl-[2-(4-phenoxyphenyl)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) 5.09 -0.39 -13.14 1 10 0 98 521.581 7 ↓
Mid Mid (pH 6-8) 5.09 -0.08 -42.61 2 10 1 99 522.589 7 ↓

Analogs

9381336
9381336

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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) 4.92 2.14 -15.84 1 10 0 136 506.54 7 ↓

Analogs

10526822
10526822

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Popular Name: N-(6-chloro-4-methyl-benzothiazol-2-yl)-3,5-dinitro-N-(tetrahydrofuran-2-ylmethyl)benzamide N-(6-chloro-4-methyl-benzothiazo…

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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) 4.88 0.77 -12.55 0 10 0 134 476.898 6 ↓

Analogs

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Popular Name: BRD-K21606796-001-01-0 BRD-K21606796-001-01-0

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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) 5.45 10.73 -11.73 0 10 0 99 449.515 7 ↓

Analogs

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Popular Name: (4R)-5-keto-2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-1,4,6,8-tetrahydroquinoline-3-carboxyli (4R)-5-keto-2,7,7-trimethyl-4-(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) 5.08 12.32 -25.7 1 10 0 129 520.538 7 ↓

Analogs

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Popular Name: (1-cyanocyclohexyl)carbamoylmethyl (1-cyanocyclohexyl)carbamoylmethyl

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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 3.1 -22.26 1 10 0 143 487.896 9 ↓

Analogs

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Popular Name: 1-[(1-cyano-1,2-dimethyl-propyl)carbamoyl]ethyl 1-[(1-cyano-1,2-dimethyl-propyl)…

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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) 5.02 12.25 -19.79 1 10 0 143 489.912 10 ↓

Analogs

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Popular Name: N-(6-ethylbenzothiazol-2-yl)-3,5-dinitro-N-(tetrahydrofuran-2-ylmethyl)benzamide N-(6-ethylbenzothiazol-2-yl)-3,5…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.74 0.81 -11.35 0 10 0 134 456.48 7 ↓

Analogs

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Popular Name: N-(4,6-dimethylbenzothiazol-2-yl)-3,5-dinitro-N-(tetrahydrofuran-2-ylmethyl)benzamide N-(4,6-dimethylbenzothiazol-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) 4.65 1.24 -14.49 0 10 0 134 456.48 6 ↓

Analogs

1149568
1149568

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Popular Name: bis(4-methoxyphenyl)-[(2-methylphenoxy)methyl]BLAH bis(4-methoxyphenyl)-[(2-methylp…

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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) 6.20 13.19 -13.16 0 8 0 84 492.535 7 ↓

Analogs

16713669
16713669
16713671
16713671
1160301
1160301

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Popular Name: (2Z,5R)-2-(4-carbomethoxybenzylidene)-3-keto-7-methyl-5-(2-thienyl)-5H-thiazolo[3,2-a]pyrimidine-6-c (2Z,5R)-2-(4-carbomethoxybenzyli…

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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) 6.07 13.39 -13.67 0 7 0 87 482.583 7 ↓

Analogs

11683986
11683986

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Popular Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(1-phenylethyl)quinazolin-4-one 2-[[3-(2-ethoxyphenyl)-1,2,4-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) 6.02 0.28 -13.62 0 7 0 83 484.581 8 ↓

Analogs

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Popular Name: 5-[1,3-diketo-5-(4-keto-3,1-benzoxazin-2-yl)isoindolin-2-yl]benzene-1,3-dicarboxylic-acid-dimethyl-e 5-[1,3-diketo-5-(4-keto-3,1-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) 4.73 10.75 -18.46 0 10 0 135 484.42 6 ↓

Analogs

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Popular Name: (2S)-2-[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]-1-methylsulfonyl-azepane (2S)-2-[5-(1,3-benzodioxol-5-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) 3.25 -1.89 -17.42 0 7 0 82 364.423 3 ↓

Analogs

9007890
9007890

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Popular Name: (5S,10bR)-5-[4-[(4-chlorophenyl)methoxy]phenyl]-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzox (5S,10bR)-5-[4-[(4-chlorophenyl)…

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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) 7.33 0.43 -8.92 0 4 0 34 466.968 5 ↓

Analogs

8431593
8431593

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Popular Name: 2-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine 2-(4-chlorophenyl)-5-[4-(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) 6.29 1.28 -9.26 0 4 0 34 426.85 4 ↓

Analogs

13043634
13043634
8796275
8796275
8796283
8796283

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Popular Name: (NZ)-4-(cyclopentyl-methyl-sulfamoyl)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-(cyclopentyl-methyl-sulfa…

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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) 5.88 -3.66 -15.16 0 7 0 81 487.647 7 ↓

Analogs

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Popular Name: 6-(5-phenylisoxazol-3-yl)-3-(3-pyridyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(5-phenylisoxazol-3-yl)-3-(3-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) 3.41 1.39 -13.4 0 7 0 82 346.375 3 ↓

Analogs

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Popular Name: [(8S,9S,11R,13S,14S,17R)-3-acetoxy-17-ethynyl-13-methyl-1-nitro-11-nitrooxy-7,8,9,11,12,14,15,16-oct [(8S,9S,11R,13S,14S,17R)-3-aceto…

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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) 4.63 7.55 -19.65 0 11 0 153 486.477 7 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-5-[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furyl]-1,2,4-oxadiazole 3-(4-chlorophenyl)-5-[5-(4-chlor…

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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) 7.08 2.48 -5.65 0 4 0 52 425.193 4 ↓

Analogs

39869273
39869273
39869274
39869274
2614201
2614201
2614202
2614202
2614203
2614203

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Popular Name: (7R)-2-isopentylsulfanyl-3-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimid (7R)-2-isopentylsulfanyl-3-(4-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) 6.37 0.73 -9.95 0 4 0 44 428.623 6 ↓

Analogs

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Popular Name: 4-(2,5-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-3-[(2,4,6-trimethoxyphenyl)methyleneamino]thiazol-2- 4-(2,5-dimethoxyphenyl)-N-(2-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.21 9.68 -13.71 0 8 0 76 483.59 10 ↓

Analogs

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Popular Name: 2,6-diphenyl-4-(4-phenylpiperazin-1-yl)thieno[3,2-e]pyrimidine 2,6-diphenyl-4-(4-phenylpiperazi…

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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) 7.15 13.99 -8.04 0 4 0 32 448.595 4 ↓

Analogs

33903961
33903961
33903962
33903962
33903963
33903963
33903964
33903964
8833987
8833987

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Popular Name: (3aR,5R,6S,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-6-[(4-propoxyphenyl)methoxy]spiro[3a,5,6,6a-t (3aR,5R,6S,6aR)-5-[(3S)-1,4-diox…

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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) 6.18 12.21 -8.32 0 7 0 65 488.621 7 ↓

Analogs

36371576
36371576
36371577
36371577
36371578
36371578
36371579
36371579

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Popular Name: [(3S,8R,9R,10S,13R,14R,17S)-17-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-c [(3S,8R,9R,10S,13R,14R,17S)-17-a…

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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) 6.56 15.91 -9.82 0 4 0 53 436.592 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) 5.25 13.41 -27.8 0 10 0 114 518.57 8 ↓

Analogs

32107063
32107063
32107065
32107065
33707718
33707718
33707720
33707720
33707722
33707722

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Popular Name: [(3aR,5S,6R,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dio [(3aR,5S,6R,6aR)-5-[(3S)-1,4-dio…

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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) 5.42 12.17 -8.55 0 10 0 118 489.521 5 ↓

Analogs

8989851
8989851

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Popular Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] [4-bromo-2-(morpholine-4-carboth…

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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) 4.65 11.92 -14.89 0 10 0 130 496.295 7 ↓

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) 3.73 8.7 -14.32 0 7 0 79 358.423 4 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-(1,3-benzodioxol-5-yl)-6-(4-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) 4.14 7.9 -12.26 0 7 0 71 352.375 3 ↓

Analogs

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Popular Name: (3S,3aS,6aR)-3-(4-butoxy-3-methoxy-phenyl)-5-(4-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d (3S,3aS,6aR)-3-(4-butoxy-3-metho…

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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 13.87 -11.91 0 10 0 114 517.538 9 ↓
Ref Reference (pH 7) 5.07 14.03 -15.8 0 10 0 114 517.538 9 ↓

Analogs

9041960
9041960

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Popular Name: (5R,10bR)-5-(4-butoxyphenyl)-9-chloro-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzox (5R,10bR)-5-(4-butoxyphenyl)-9-c…

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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) 7.83 13.74 -7.28 0 4 0 34 467.396 6 ↓

Analogs

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Popular Name: N,3-bis(4-ethoxyphenyl)-4-(4-fluorophenyl)thiazol-2-imine N,3-bis(4-ethoxyphenyl)-4-(4-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) 7.52 13.82 -8.17 0 4 0 36 434.536 7 ↓

Analogs

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Popular Name: 5-(p-tolyl)-2-[(1S)-1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl]tetrazole 5-(p-tolyl)-2-[(1S)-1-[5-(p-toly…

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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) 3.71 5.79 -12.83 0 7 0 83 346.394 4 ↓

Analogs

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Popular Name: 5-nitrofuran-2-carboxylic-acid-[4-bromo-2-[(E)-[[2-(3,4-dimethylphenoxy)acetyl]hydrazono]methyl]phen 5-nitrofuran-2-carboxylic-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) 5.50 12.82 -21.09 1 10 0 136 516.304 9 ↓

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Popular Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl [7-(ethoxycarbonylamino)-2-oxo-c…

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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 14.4 -21.27 1 11 0 144 509.515 9 ↓

Analogs

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Popular Name: (2Z,5R)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-(2-oxo-2-tetralin-6-yl-ethyl)thiazolidin-4-one (2Z,5R)-3-(4-chlorophenyl)-2-(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) 7.30 16.84 -8.82 0 4 0 50 509.458 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) 5.26 11.76 -27.16 0 10 0 129 489.893 6 ↓

Analogs

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Popular Name: 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyphenyl)-5-methyl-triazole 4-[3-(2-fluorophenyl)-1,2,4-oxad…

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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) 3.35 6.56 -17.07 0 7 0 79 351.341 4 ↓

Analogs

15775227
15775227
15775223
15775223

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Popular Name: [(2R,3R)-2,3-diacetoxy-3-[1-(4-chlorophenyl)-6,7-dimethyl-pyrazolo[4,5-b]quinoxalin-3-yl]propyl] [(2R,3R)-2,3-diacetoxy-3-[1-(4-c…

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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) 4.94 14.5 -19.39 0 10 0 123 524.961 10 ↓

Analogs

15784762
15784762

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Popular Name: [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dim…

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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) 4.56 7.07 -9.76 1 10 0 111 465.499 8 ↓

Analogs

15784751
15784751

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Popular Name: [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dim…

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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) 4.56 7.12 -9.06 1 10 0 111 465.499 8 ↓

Analogs

3248340
3248340

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Popular Name: 4-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-[(3-methyl-2-thienyl)methyleneamino]thiazol-2-imine 4-(2,4-dichlorophenyl)-N-(2-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) 6.50 10.84 -5.96 0 4 0 39 426.394 6 ↓

Analogs

15912953
15912953

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Popular Name: 4-[4-(difluoromethoxy)phenyl]-N-[4-(difluoromethylsulfanyl)phenyl]-3-[[(2R)-tetrahydrofuran-2-yl]met 4-[4-(difluoromethoxy)phenyl]-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) 7.19 12.34 -10.44 0 4 0 36 484.54 8 ↓

Analogs

39864100
39864100
39864167
39864167
39864578
39864578
39864645
39864645

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Popular Name: (2Z,5Z)-3-(1-adamantyl)-5-[(4-chlorophenyl)methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one (2Z,5Z)-3-(1-adamantyl)-5-[(4-ch…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.31 11.59 -9.82 0 4 0 44 479.045 4 ↓

Analogs

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Popular Name: (2Z,5E)-3-cyclohexyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-(m-tolylimino)thiazolidin-4- (2Z,5E)-3-cyclohexyl-5-(3-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) 8.24 14.45 -10.44 0 5 0 49 479.671 4 ↓

Analogs

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Popular Name: (4-methyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)methyl (4-methyl-5-oxo-[1,2,4]triazolo[…

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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) 4.99 12.64 -16.27 0 10 0 117 492.495 6 ↓

Analogs

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Popular Name: 3,4,5-trimethoxybenzoic-acid-[2,6-dimethoxy-4-(6-methylpiperonyloyl)phenyl]-ester 3,4,5-trimethoxybenzoic-acid-[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) 4.73 4.21 -16.43 0 10 0 108 510.495 10 ↓