UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[3-[2-[(3-chloro-2-methyl-phenyl)amino]-2-oxo-ethyl]sulfanyl-8-methyl-[1,2,4]triazino[5,6-b]indol- 2-[3-[2-[(3-chloro-2-methyl-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) 4.01 11.72 -55.7 1 8 -1 113 454.919 6 ↓

Analogs

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Popular Name: 6-chloro-8-[(diethylamino)methyl]-7-hydroxy-4-methyl-2H-chromen-2-one 6-chloro-8-[(diethylamino)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) 3.24 7.75 -36.89 2 4 1 55 296.774 4 ↓

Analogs

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Popular Name: 5-[5-[(4-amino-1,2,5-oxadiazol-3-yl)carbonylaminoiminomethyl]-2-furyl]-2-chloro-benzoic 5-[5-[(4-amino-1,2,5-oxadiazol-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) 2.76 4.82 -64.98 3 10 -1 160 374.72 5 ↓

Analogs

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Popular Name: 5-[5-[(Z)-[(4-amino1,2,5-oxadiazole-3-carbonyl)hydrazono]methyl]-2-furyl]-2-chloro-benzoic 5-[5-[(Z)-[(4-amino1,2,5-oxadiaz…

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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) 2.76 5.22 -64.8 3 10 -1 160 374.72 5 ↓

Analogs

4249695
4249695
4249697
4249697

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Popular Name: 6-(o-tolylmethylsulfanyl)-2H-pyrazolo[4,3-e]pyrimidin-4-ol 6-(o-tolylmethylsulfanyl)-2H-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) 3.39 4.05 -47.9 1 5 -1 78 271.325 3 ↓
Mid Mid (pH 6-8) 2.94 5.81 -8.47 2 5 0 74 272.333 3 ↓
Mid Mid (pH 6-8) 2.94 6.01 -11.27 2 5 0 74 272.333 3 ↓

Analogs

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Popular Name: (Z)-6-((1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl)methylene)-5-imino-3-(methylsulfonyl)-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7(6H)-one (Z)-6-((1-(2,6-dimethylphenyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.64 7.27 -16.24 1 8 0 110 427.511 3 ↓
Lo Low (pH 4.5-6) 1.64 7.26 -98.97 3 8 2 113 429.527 3 ↓

Analogs

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Popular Name: (6E)-6-[(4-allyloxy-3-methoxy-phenyl)methylene]-2-ethylsulfonyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyr (6E)-6-[(4-allyloxy-3-methoxy-ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.58 2.92 -19.11 1 9 0 124 434.499 7 ↓

Analogs

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Popular Name: 3-[[(1S)-2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl]thiocarbamoylamino]benzoate 3-[[(1S)-2,2,2-trichloro-1-[(2-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) 3.79 10.67 -63.58 3 9 -1 139 490.732 9 ↓

Analogs

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Popular Name: 3-[[(1R)-2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl]thiocarbamoylamino]benzoate 3-[[(1R)-2,2,2-trichloro-1-[(2-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) 3.79 10.7 -62.87 3 9 -1 139 490.732 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) -0.85 3.1 -38.28 2 7 1 85 378.836 4 ↓
Mid Mid (pH 6-8) -0.85 3.9 -15.31 1 7 0 88 377.828 4 ↓

Analogs

39915631
39915631

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Popular Name: 4-diethoxyphosphoryl-2-(3-nitrophenyl)-5-piperidino-oxazole 4-diethoxyphosphoryl-2-(3-nitrop…

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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) 3.46 7.83 -16.49 0 9 0 111 409.379 8 ↓
Hi High (pH 8-9.5) 1.80 4.47 -61.94 5 8 1 132 423.474 6 ↓

Analogs

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Popular Name: 2-[3-[[3-(azepan-1-ylcarbonylmethyl)-2,4-dioxo-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic 2-[3-[[3-(azepan-1-ylcarbonylmet…

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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) 1.78 12.11 -58.74 0 8 -1 104 440.501 5 ↓

Analogs

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Popular Name: 3-fluoro-N-[1-(2-thienylmethylcarbamoylmethyl)-4-piperidyl]-benzamide 3-fluoro-N-[1-(2-thienylmethylca…

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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 7.56 -44.6 3 5 1 63 376.477 6 ↓
Hi High (pH 8-9.5) 2.60 5.38 -11.07 2 5 0 61 375.469 6 ↓

Analogs

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Popular Name: 2-(5-cyano-4-hydroxy-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide 2-(5-cyano-4-hydroxy-6-phenyl-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.74 6.91 -49.55 1 8 -1 124 462.536 7 ↓
Hi High (pH 8-9.5) 4.92 5.49 -104.28 0 8 -2 130 461.528 7 ↓
Mid Mid (pH 6-8) 5.21 7.9 -15.61 2 8 0 124 463.544 6 ↓

Analogs

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Popular Name: 2-[[2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]acetyl]amino]-2,2-diphenyl-acetate 2-[[2-[[1-(3,4-dimethylphenyl)te…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.15 13.08 -57.84 1 8 -1 113 472.55 8 ↓

Analogs

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Popular Name: 2-[2-[(Z)-2-(2,6-dihydroxy-5-nitro-pyrimidin-4-yl)vinyl]phenoxy]-N-phenyl-acetamide 2-[2-[(Z)-2-(2,6-dihydroxy-5-nit…

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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) 2.92 7.08 -43.42 2 10 -1 153 407.362 7 ↓
Mid Mid (pH 6-8) 2.46 8.19 -21.73 3 10 0 150 408.37 7 ↓

Analogs

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Popular Name: N-[1-(benzo[1,3]dioxol-5-ylcarbamoylmethyl)-4-piperidyl]-2-fluoro-benzamide N-[1-(benzo[1,3]dioxol-5-ylcarba…

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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 6.98 -57.15 3 7 1 81 400.43 5 ↓

Analogs

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Popular Name: 4-methyl-N-[1-[(3-nitrophenyl)carbamoylmethyl]-4-piperidyl]-benzamide 4-methyl-N-[1-[(3-nitrophenyl)ca…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.11 9.62 -57.71 3 8 1 108 397.455 6 ↓

Analogs

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Popular Name: [2-methoxy-5-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] [2-methoxy-5-[(Z)-(4-oxo-2-thiox…

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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) 2.25 2.71 -55.02 1 8 -1 118 463.538 6 ↓
Lo Low (pH 4.5-6) 1.80 4.79 -20.57 2 8 0 115 464.546 6 ↓

Analogs

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Popular Name: 2-[2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]benzoate 2-[2-[[3-(1,3-benzoxazol-2-yl)ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.79 11.21 -72.1 1 6 -1 95 433.443 5 ↓

Analogs

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Popular Name: 4-[2-(8-hydroxy-2-quinolyl)vinyl]benzoic 4-[2-(8-hydroxy-2-quinolyl)vinyl…

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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) 4.04 7.73 -55.92 1 4 -1 73 290.298 3 ↓
Hi High (pH 8-9.5) 4.04 8.51 -107.98 0 4 -2 76 289.29 3 ↓

Analogs

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Popular Name: 3-(4-bromobenzoyl)-2-methyl-4,6-dinitro-benzofuran-5-olate 3-(4-bromobenzoyl)-2-methyl-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) 4.21 10.37 -49.57 0 9 -1 145 420.151 4 ↓
Lo Low (pH 4.5-6) 4.21 9.38 -12.75 1 9 0 142 421.159 4 ↓

Analogs

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Popular Name: (5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]thiazolidine-2,4-dione (5Z)-3-(2-chlorophenyl)-5-[(4-hy…

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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 8 -18.54 1 8 0 114 406.803 4 ↓
Mid Mid (pH 6-8) 3.12 9.07 -51.18 0 8 -1 117 405.795 4 ↓

Analogs

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Popular Name: 5-{2-hydroxy-3,5-bisnitrophenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one 5-{2-hydroxy-3,5-bisnitrophenyl}…

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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) 4.80 13.7 -44.5 1 9 -1 144 458.45 3 ↓
Lo Low (pH 4.5-6) 4.80 11.66 -11.11 2 9 0 141 459.458 3 ↓

Analogs

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Popular Name: 5-{2-hydroxy-3,5-bisnitrophenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one 5-{2-hydroxy-3,5-bisnitrophenyl}…

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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) 4.80 13.57 -45.82 1 9 -1 144 458.45 3 ↓
Lo Low (pH 4.5-6) 4.80 12.49 -11 2 9 0 141 459.458 3 ↓

Analogs

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Popular Name: (E)-3-[3,4-dimethoxy-5-(piperonylsulfamoyl)phenyl]acrylate (E)-3-[3,4-dimethoxy-5-(piperony…

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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 4.82 -53.3 1 9 -1 123 420.419 8 ↓

Analogs

4959447
4959447
4959448
4959448
13151540
13151540
13151541
13151541
871766
871766

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Popular Name: (3aR,4R,9bS)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbo (3aR,4R,9bS)-4-(6-bromo-1,3-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) 4.70 9.77 -56.42 1 5 -1 71 413.247 2 ↓
Lo Low (pH 4.5-6) 4.70 7.8 -9.4 2 5 0 68 414.255 2 ↓

Analogs

13151540
13151540
13151541
13151541
2578385
2578385

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Popular Name: (6-bromobenzo[1,3]dioxol-5-yl)BLAHcarboxylic (6-bromobenzo[1,3]dioxol-5-yl)BL…

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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) 4.70 9.06 -54.52 1 5 -1 71 413.247 2 ↓
Lo Low (pH 4.5-6) 4.70 7.08 -8.76 2 5 0 68 414.255 2 ↓

Analogs

4959448
4959448
13151540
13151540
13151541
13151541
2578385
2578385

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Popular Name: (6-bromobenzo[1,3]dioxol-5-yl)BLAHcarboxylic (6-bromobenzo[1,3]dioxol-5-yl)BL…

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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) 4.70 8.68 -58 1 5 -1 71 413.247 2 ↓
Lo Low (pH 4.5-6) 4.70 6.7 -10.6 2 5 0 68 414.255 2 ↓

Analogs

2578385
2578385
4959447
4959447
4959448
4959448

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Popular Name: (6-bromobenzo[1,3]dioxol-5-yl)BLAHcarboxylic (6-bromobenzo[1,3]dioxol-5-yl)BL…

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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) 4.70 9.44 -53.94 1 5 -1 71 413.247 2 ↓
Lo Low (pH 4.5-6) 4.70 7.47 -9.1 2 5 0 68 414.255 2 ↓

Analogs

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Popular Name: 2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)carbamoylmethylsulfanyl]benzoic 2-[(3-ethoxycarbonyl-4,5-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) 3.22 10.14 -60.75 1 6 -1 96 392.478 8 ↓

Analogs

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Popular Name: (5-ethyl-1,3,4-thiadiazol-2-yl)-[4-(2-thenoylthiocarbamoylamino)phenyl]sulfonyl-azanide (5-ethyl-1,3,4-thiadiazol-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) 2.05 5.54 -63.72 2 8 -1 115 452.588 8 ↓

Analogs

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Popular Name: 2-[[5-cyano-4-(3-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(5-methyl-4-phenyl-thiazol-2-yl) 2-[[5-cyano-4-(3-methoxyphenyl)-…

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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) 4.75 7.59 -47.54 1 8 -1 124 488.574 7 ↓
Hi High (pH 8-9.5) 4.94 6.14 -103.83 0 8 -2 130 487.566 7 ↓
Mid Mid (pH 6-8) 5.22 8.6 -18.63 2 8 0 124 489.582 6 ↓

Analogs

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Popular Name: (5E)-5-[(3-ethoxy-2-hydroxy-5-nitro-phenyl)methylene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-di (5E)-5-[(3-ethoxy-2-hydroxy-5-ni…

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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) 2.35 6.99 -15.94 2 9 0 130 401.35 6 ↓
Mid Mid (pH 6-8) 2.35 7.91 -38.56 1 9 -1 133 400.342 6 ↓
Mid Mid (pH 6-8) 2.35 8.43 -36.49 1 9 -1 133 400.342 6 ↓

Analogs

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Popular Name: 2-[4-[(Z)-(5-anilino-4-ethoxycarbonyl-3-oxo-2-thienylidene)methyl]-2-ethoxy-phenoxy]acetic 2-[4-[(Z)-(5-anilino-4-ethoxycar…

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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) 4.29 12.23 -101.32 0 8 -2 120 467.499 10 ↓

Analogs

8496715
8496715
666834
666834

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Popular Name: 2-chloro-5-[5-[[1-(4-methoxycarbonylphenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]-benzoic 2-chloro-5-[5-[[1-(4-methoxycarb…

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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) 3.61 11.54 -75.1 1 9 -1 134 465.825 6 ↓

Analogs

15987823
15987823

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Popular Name: 2-chloro-5-[5-(phenylthiocarbamoylaminoiminomethyl)-2-furyl]-benzoic 2-chloro-5-[5-(phenylthiocarbamo…

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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) 4.67 11.57 -62.21 2 6 -1 90 398.851 7 ↓

Analogs

8595569
8595569

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Popular Name: CID 16020046 CID 16020046

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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 10.08 -53.64 2 7 -1 109 424.436 4 ↓

Analogs

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Popular Name: dibutyl-[(7-hydroxy-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]ammonium dibutyl-[(7-hydroxy-4-keto-2,3-d…

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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) 4.93 11.67 -39.79 2 4 1 55 344.475 8 ↓
Hi High (pH 8-9.5) 4.93 12.27 -22.04 1 4 0 58 343.467 8 ↓

Analogs

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Popular Name: N-(5-benzylidene-4-hydroxy-thiazol-2-ylidene)-4-methyl-benzenesulfonamide N-(5-benzylidene-4-hydroxy-thiaz…

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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) 4.30 6.43 -13.96 1 5 0 79 358.444 3 ↓
Ref Reference (pH 7) 4.30 6.33 -12.89 1 5 0 79 358.444 3 ↓
Mid Mid (pH 6-8) 4.76 4.49 -58.44 0 5 -1 82 357.436 3 ↓

Analogs

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Popular Name: 2-[2-ethoxy-4-[(Z)-[4-ethoxycarbonyl-5-(4-methylanilino)-3-oxo-2-thienylidene]methyl]phenoxy]acetic 2-[2-ethoxy-4-[(Z)-[4-ethoxycarb…

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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 12.9 -101.44 0 8 -2 120 481.526 10 ↓

Analogs

36201118
36201118
4739296
4739296
9934643
9934643

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Popular Name: 9-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione 9-(3-ethoxy-4-hydroxy-5-nitro-ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.72 9.4 -18.73 1 8 0 119 399.399 4 ↓

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Popular Name: BRD-K05110171-001-01-8 BRD-K05110171-001-01-8

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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 5.9 -58.44 2 7 -1 119 457.534 6 ↓
Hi High (pH 8-9.5) 5.01 6.67 -104.83 1 7 -2 122 456.526 6 ↓
Hi High (pH 8-9.5) 5.01 5.92 -98.41 1 7 -2 121 456.526 6 ↓

Analogs

2120343
2120343

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Popular Name: 3-(5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoic acid 3-(5-methyl-7-oxo-3-phenyl-7H-fu…

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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) 4.26 12.55 -54.71 0 5 -1 83 347.346 4 ↓

Analogs

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Popular Name: 2-(4-hydroxy-5,6-dimethyl-thieno[3,2-e]pyrimidin-2-yl)sulfanyl-N-[4-[(5-methylisoxazol-3-yl)sulfamoy 2-(4-hydroxy-5,6-dimethyl-thieno…

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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 4.79 -66.36 2 10 -1 149 504.595 7 ↓
Hi High (pH 8-9.5) 3.67 3.48 -104.35 1 10 -2 152 503.587 7 ↓
Lo Low (pH 4.5-6) 3.22 4.78 -28.68 3 10 0 147 505.603 7 ↓

Analogs

5171181
5171181

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Popular Name: 5-[3-[(2-hydroxy-1-naphthyl)azo]-2-thienyl]-3-methyl-pentanoic 5-[3-[(2-hydroxy-1-naphthyl)azo]…

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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) 5.56 9.87 -52.96 1 5 -1 85 367.45 7 ↓
Lo Low (pH 4.5-6) 5.56 7.89 -13.18 2 5 0 82 368.458 7 ↓

Analogs

5171184
5171184

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Popular Name: 5-[3-[(2-hydroxy-1-naphthyl)azo]-2-thienyl]-3-methyl-pentanoic 5-[3-[(2-hydroxy-1-naphthyl)azo]…

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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) 5.56 9.87 -54.49 1 5 -1 85 367.45 7 ↓
Lo Low (pH 4.5-6) 5.56 7.89 -13.43 2 5 0 82 368.458 7 ↓

Analogs

8997046
8997046
12604080
12604080

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Popular Name: 3-nitro-N-[3-(4-sulfamoylphenyl)aminoquinoxalin-2-yl]-benzenesulfonamide 3-nitro-N-[3-(4-sulfamoylphenyl)…

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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) 3.37 3.75 -54.28 3 12 -1 192 499.51 7 ↓
Lo Low (pH 4.5-6) 3.37 4.28 -23.38 4 12 0 190 500.518 7 ↓

Analogs

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Popular Name: 3-[[2,2,2-trichloro-1-(2-furylcarbonylamino)ethyl]thiocarbamoylamino]benzoic 3-[[2,2,2-trichloro-1-(2-furylca…

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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) 3.14 7.42 -69.83 3 7 -1 106 435.696 8 ↓

Analogs

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Popular Name: 3-[[2,2,2-trichloro-1-(2-furylcarbonylamino)ethyl]thiocarbamoylamino]benzoic 3-[[2,2,2-trichloro-1-(2-furylca…

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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) 3.14 7.42 -71.41 3 7 -1 106 435.696 8 ↓

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