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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 7-chloro-4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium 7-chloro-4-nitro-3-oxido-2,1,3-b…

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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) 2.40 5.69 -22.5 0 7 0 97 215.552 1 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-4-nitro-triazole 2-(4-bromophenyl)-4-nitro-triazole

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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) 2.02 6.72 -5.85 0 6 0 77 269.058 2 ↓

Analogs

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Popular Name: 2-(2-bromophenyl)-4-nitro-triazole 2-(2-bromophenyl)-4-nitro-triazole

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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) 2.18 6.96 -8 0 6 0 77 269.058 2 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-4-nitro-triazole 2-(4-chlorophenyl)-4-nitro-triazole

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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) 1.89 6.61 -5.96 0 6 0 77 224.607 2 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-4-nitro-triazole 2-(3-chlorophenyl)-4-nitro-triazole

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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) 2.08 6.61 -7.68 0 6 0 77 224.607 2 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)-4-nitro-triazole 2-(2-chlorophenyl)-4-nitro-triazole

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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 6.81 -8.11 0 6 0 77 224.607 2 ↓

Analogs

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Popular Name: 4-chloro-5-methyl-2-phenyl-2H-1,2,3-triazole 4-chloro-5-methyl-2-phenyl-2H-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) 2.15 5.36 -6.52 0 3 0 31 193.637 1 ↓

Analogs

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Popular Name: N-(2-chloropyridin-3-yl)-N-methylacetamide N-(2-chloropyridin-3-yl)-N-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) 1.13 4.06 -9.08 0 3 0 33 184.626 1 ↓

Analogs

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Popular Name: 2-(5-chloropyridin-2-yl)-4-methyl-2H-1,2,3-triazole 1-oxide 2-(5-chloropyridin-2-yl)-4-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) 1.68 4.66 -19.81 0 5 0 56 210.624 1 ↓

Analogs

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Popular Name: 5-chloro-2-(4-chloro-5-methyl-2H-1,2,3-triazol-2-yl)pyridine 5-chloro-2-(4-chloro-5-methyl-2H…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 4.87 -6.85 0 4 0 44 229.07 1 ↓

Analogs

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Popular Name: (E)-2-cyano-3-(furan-2-yl)-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)acrylamide (E)-2-cyano-3-(furan-2-yl)-N-(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) 1.86 3.15 -53.42 0 7 -1 119 372.407 4 ↓
Mid Mid (pH 6-8) 1.67 4.82 -20.22 1 7 0 113 373.415 4 ↓

Analogs

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Popular Name: (E)-2-cyano-3-(1H-indol-3-yl)-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)acrylamide (E)-2-cyano-3-(1H-indol-3-yl)-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 4.84 -53.08 1 7 -1 122 421.483 4 ↓
Mid Mid (pH 6-8) 2.56 6.5 -19.05 2 7 0 116 422.491 4 ↓

Analogs

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Popular Name: (E)-2-cyano-3-(4-(dimethylamino)phenyl)-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)acrylamide (E)-2-cyano-3-(4-(dimethylamino)…

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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) 2.88 5.16 -53.21 0 7 -1 109 425.515 5 ↓
Mid Mid (pH 6-8) 2.70 6.85 -19.26 1 7 0 103 426.523 5 ↓

Analogs

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Popular Name: (E)-2-cyano-3-(4-hydroxyphenyl)-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)acrylamide (E)-2-cyano-3-(4-hydroxyphenyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 1.95 -51.35 1 7 -1 126 398.445 4 ↓
Hi High (pH 8-9.5) 2.30 2.73 -100.52 0 7 -2 129 397.437 4 ↓
Mid Mid (pH 6-8) 2.11 3.62 -20.25 2 7 0 120 399.453 4 ↓

Analogs

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Popular Name: (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)acrylamide (E)-2-cyano-3-(4-hydroxy-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) 2.12 1.93 -50.62 1 8 -1 136 428.471 5 ↓
Hi High (pH 8-9.5) 2.12 2.86 -103.84 0 8 -2 139 427.463 5 ↓
Mid Mid (pH 6-8) 1.93 3.62 -21.16 2 8 0 129 429.479 5 ↓

Analogs

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Popular Name: (E)-2-cyano-N-(6-ethoxybenzo[d]thiazol-2-yl)-3-(1-(2-(2-methoxyphenoxy)ethyl)-1H-pyrrol-2-yl)acrylamide (E)-2-cyano-N-(6-ethoxybenzo[d]t…

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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) 4.68 10.28 -53.55 0 8 -1 105 487.561 10 ↓
Mid Mid (pH 6-8) 4.49 11.95 -16.11 1 8 0 98 488.569 10 ↓

Analogs

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Popular Name: (E)-2-cyano-N-(6-ethoxybenzo[d]thiazol-2-yl)-3-(1H-indol-3-yl)acrylamide (E)-2-cyano-N-(6-ethoxybenzo[d]t…

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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) 4.31 7.52 -48.76 1 6 -1 97 387.444 5 ↓
Mid Mid (pH 6-8) 4.13 9.18 -12.36 2 6 0 91 388.452 5 ↓

Analogs

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Popular Name: (E)-butyl 4-(5-(3-(benzo[d]thiazol-2-ylamino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate (E)-butyl 4-(5-(3-(benzo[d]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) 6.54 12.52 -53.48 0 7 -1 112 470.53 9 ↓
Mid Mid (pH 6-8) 6.35 14.18 -17.65 1 7 0 105 471.538 9 ↓

Analogs

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Popular Name: (E)-methyl 4-(5-(3-(benzo[d]thiazol-2-ylamino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate (E)-methyl 4-(5-(3-(benzo[d]thia…

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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) 5.10 10 -53.98 0 7 -1 112 428.449 6 ↓
Mid Mid (pH 6-8) 4.92 11.68 -18.23 1 7 0 105 429.457 6 ↓

Analogs

33761886
33761886

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(5-(3-chloro-4-methylphenyl)furan-2-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-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) 5.98 8.93 -18.88 1 5 0 82 419.893 4 ↓
Mid Mid (pH 6-8) 5.80 12.13 -14.66 1 5 0 79 419.893 4 ↓

Analogs

33761886
33761886

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(5-(3-chloro-4-methoxyphenyl)furan-2-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-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) 5.59 9.22 -52.05 0 6 -1 94 434.884 5 ↓
Mid Mid (pH 6-8) 5.41 10.89 -16 1 6 0 88 435.892 5 ↓

Analogs

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Popular Name: (E)-ethyl 4-(5-(3-(benzo[d]thiazol-2-ylamino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate (E)-ethyl 4-(5-(3-(benzo[d]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) 5.48 10.92 -53.85 0 7 -1 112 442.476 7 ↓
Mid Mid (pH 6-8) 5.29 12.6 -17.97 1 7 0 105 443.484 7 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(5-(2-chloro-4-nitrophenyl)furan-2-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-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) 5.49 9.81 -55.68 0 8 -1 131 449.855 5 ↓
Mid Mid (pH 6-8) 5.31 11.99 -19.39 1 8 0 125 450.863 5 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(5-(2-bromo-4-nitrophenyl)furan-2-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-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) 5.63 9.9 -55.19 0 8 -1 131 494.306 5 ↓
Mid Mid (pH 6-8) 5.44 12.08 -19.18 1 8 0 125 495.314 5 ↓

Analogs

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Popular Name: (E)-3-(5-(3-(benzo[d]thiazol-2-ylamino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoic acid (E)-3-(5-(3-(benzo[d]thiazol-2-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) 4.82 9.6 -127.74 0 7 -2 125 413.414 5 ↓
Mid Mid (pH 6-8) 4.63 11.26 -74.09 1 7 -1 119 414.422 5 ↓

Analogs

33761886
33761886

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Popular Name: (E)-4-(5-(3-(benzo[d]thiazol-2-ylamino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoic acid (E)-4-(5-(3-(benzo[d]thiazol-2-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) 4.84 9.59 -105.74 0 7 -2 125 413.414 5 ↓
Mid Mid (pH 6-8) 4.66 11.27 -61.49 1 7 -1 119 414.422 5 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(5-(benzylthio)furan-2-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-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) 5.33 11.13 -48.94 0 5 -1 85 416.507 6 ↓
Mid Mid (pH 6-8) 5.14 12.04 -13.95 1 5 0 79 417.515 6 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(5-((4-chlorobenzyl)thio)furan-2-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-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) 6.00 10.36 -30.17 1 5 0 82 451.96 6 ↓
Mid Mid (pH 6-8) 5.82 12.6 -13.43 1 5 0 79 451.96 6 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(3-bromo-4-hydroxyphenyl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-3-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.45 4.75 -46.77 1 5 -1 92 399.249 3 ↓
Hi High (pH 8-9.5) 4.26 7.2 -44.1 1 5 -1 89 399.249 3 ↓
Hi High (pH 8-9.5) 4.45 5.53 -92.38 0 5 -2 95 398.241 3 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(5-((4-chlorophenyl)thio)furan-2-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-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) 5.94 10.04 -49.07 0 5 -1 85 436.925 5 ↓
Mid Mid (pH 6-8) 5.76 11.71 -15.34 1 5 0 79 437.933 5 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(5-(p-tolylthio)furan-2-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 5.71 9.06 -21.43 1 5 0 82 417.515 5 ↓
Mid Mid (pH 6-8) 5.53 12.2 -16.19 1 5 0 79 417.515 5 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(5-bromofuran-2-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-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) 3.94 6.01 -47.51 0 5 -1 85 373.211 3 ↓
Mid Mid (pH 6-8) 3.76 7.69 -14.13 1 5 0 79 374.219 3 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(thiophen-2-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 3.65 6.06 -45.69 0 4 -1 72 310.383 3 ↓
Mid Mid (pH 6-8) 3.47 7.73 -10.96 1 4 0 66 311.391 3 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(6-chloro-4-oxo-4H-chromen-3-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-3-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.22 7.8 -49.04 0 6 -1 102 406.83 3 ↓
Mid Mid (pH 6-8) 4.03 9.47 -15.34 1 6 0 96 407.838 3 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(6-hydroxy-4-oxo-4H-chromen-3-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 3.06 4.43 -51.45 1 7 -1 123 388.384 3 ↓
Mid Mid (pH 6-8) 2.87 6.11 -16.93 2 7 0 116 389.392 3 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(1H-pyrrol-2-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 2.91 5.29 -46.61 1 5 -1 88 293.331 3 ↓
Mid Mid (pH 6-8) 2.72 6.96 -11.17 2 5 0 82 294.339 3 ↓

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 5.30 12.71 -53.38 0 5 -1 77 425.537 5 ↓
Mid Mid (pH 6-8) 5.11 14.39 -13.71 1 5 0 71 426.545 5 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 5.75 13.78 -55.26 0 5 -1 77 447.543 4 ↓
Mid Mid (pH 6-8) 5.57 15.46 -14.79 1 5 0 71 448.551 4 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(1-(2-methyl-3-phenoxypropyl)-1H-indol-3-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 6.40 13.84 -54.16 0 6 -1 86 491.596 8 ↓
Mid Mid (pH 6-8) 6.21 15.51 -15.61 1 6 0 80 492.604 8 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(1-(2-methyl-3-phenoxypropyl)-1H-indol-3-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 6.40 13.55 -54.5 0 6 -1 86 491.596 8 ↓
Mid Mid (pH 6-8) 6.21 15.23 -15.7 1 6 0 80 492.604 8 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(1-(3-phenoxypropyl)-1H-indol-3-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 5.92 13.26 -54.5 0 6 -1 86 477.569 8 ↓
Mid Mid (pH 6-8) 5.74 14.93 -16.02 1 6 0 80 478.577 8 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(1-(3-(m-tolyloxy)propyl)-1H-indol-3-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 6.35 13.94 -54.68 0 6 -1 86 491.596 8 ↓
Mid Mid (pH 6-8) 6.16 15.62 -16.15 1 6 0 80 492.604 8 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(1-(3-(p-tolyloxy)propyl)-1H-indol-3-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 6.37 13.94 -54.53 0 6 -1 86 491.596 8 ↓
Mid Mid (pH 6-8) 6.19 15.61 -16.01 1 6 0 80 492.604 8 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(1-(2-nitrobenzyl)-1H-indol-3-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 5.48 13.5 -53.43 0 8 -1 123 478.513 6 ↓
Mid Mid (pH 6-8) 5.29 15.17 -16.17 1 8 0 117 479.521 6 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(1-(4-nitrobenzyl)-1H-indol-3-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 5.53 13.54 -56.29 0 8 -1 123 478.513 6 ↓
Mid Mid (pH 6-8) 5.34 15.21 -19.49 1 8 0 117 479.521 6 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(1-(4-chlorobenzyl)-1H-indol-3-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-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) 6.24 13.34 -52.72 0 5 -1 77 467.961 5 ↓
Mid Mid (pH 6-8) 6.06 15.01 -14.54 1 5 0 71 468.969 5 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(1-(2-chlorobenzyl)-1H-indol-3-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-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) 6.20 13.09 -56.56 0 5 -1 77 467.961 5 ↓
Mid Mid (pH 6-8) 6.01 14.76 -15.15 1 5 0 71 468.969 5 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(1-(2-(2-chlorophenoxy)ethyl)-1H-indol-3-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-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) 6.28 11.53 -16.73 1 6 0 83 498.995 7 ↓
Mid Mid (pH 6-8) 6.10 14.71 -14.88 1 6 0 80 498.995 7 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-3-(1-(2-(4-chlorophenoxy)ethyl)-1H-indol-3-yl)-2-cyanoacrylamide (E)-N-(benzo[d]thiazol-2-yl)-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) 6.33 13 -51.15 0 6 -1 86 497.987 7 ↓
Mid Mid (pH 6-8) 6.15 14.67 -14.06 1 6 0 80 498.995 7 ↓

Analogs

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Popular Name: (E)-N-(benzo[d]thiazol-2-yl)-2-cyano-3-(1-(2-(4-methoxyphenoxy)ethyl)-1H-indol-3-yl)acrylamide (E)-N-(benzo[d]thiazol-2-yl)-2-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) 5.71 11.77 -53.12 0 7 -1 96 493.568 8 ↓
Mid Mid (pH 6-8) 5.52 13.45 -15.35 1 7 0 89 494.576 8 ↓

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