UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(1,3-benzothiazol-2-ylamino)-5-chloro-benzonitrile 2-(1,3-benzothiazol-2-ylamino)-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) 4.85 8.51 -8.67 1 3 0 49 285.759 2 ↓

Analogs

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Popular Name: 2-chloro-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide 2-chloro-6-[(6-methyl-1,3-benzot…

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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) 5.29 8.75 -12.04 3 3 0 51 333.869 3 ↓

Analogs

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Popular Name: 2-(1,3-benzothiazol-2-ylamino)-6-chloro-benzenecarbothioamide 2-(1,3-benzothiazol-2-ylamino)-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) 4.87 7.11 -15.89 3 3 0 51 319.842 3 ↓

Analogs

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Popular Name: 2-(1,3-benzothiazol-2-ylamino)-6-chloro-benzonitrile 2-(1,3-benzothiazol-2-ylamino)-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) 4.82 8.24 -10.74 1 3 0 49 285.759 2 ↓

Analogs

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Popular Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide 2-[(6-chloro-1,3-benzothiazol-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) 4.89 7.96 -16.14 3 3 0 51 319.842 3 ↓

Analogs

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Popular Name: N-(4-methylsulfanylphenyl)-1,3-benzothiazol-2-amine N-(4-methylsulfanylphenyl)-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) 4.92 8.59 -8.54 1 2 0 25 272.398 3 ↓

Analogs

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Popular Name: N4,N4-dimethyl-N1-(5-methyl-1,3-benzothiazol-2-yl)benzene-1,4-diamine N4,N4-dimethyl-N1-(5-methyl-1,3-…

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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) 5.01 8.64 -8.16 1 3 0 28 283.4 3 ↓

Analogs

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Popular Name: N4-(7-chloro-1,3-benzothiazol-2-yl)-N1,N1-dimethyl-benzene-1,4-diamine N4-(7-chloro-1,3-benzothiazol-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 9.15 -7.82 1 3 0 28 303.818 3 ↓

Analogs

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Popular Name: N4-(5-fluoro-1,3-benzothiazol-2-yl)-N1,N1-dimethyl-benzene-1,4-diamine N4-(5-fluoro-1,3-benzothiazol-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 8.71 -7.88 1 3 0 28 287.363 3 ↓

Analogs

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Popular Name: N4-(5-chloro-1,3-benzothiazol-2-yl)-N1,N1-dimethyl-benzene-1,4-diamine N4-(5-chloro-1,3-benzothiazol-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) 5.24 9.15 -7.36 1 3 0 28 303.818 3 ↓

Analogs

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Popular Name: N4-(5-bromo-1,3-benzothiazol-2-yl)-N1,N1-dimethyl-benzene-1,4-diamine N4-(5-bromo-1,3-benzothiazol-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) 5.37 9.25 -7.25 1 3 0 28 348.269 3 ↓

Analogs

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Popular Name: N4-(1,3-benzothiazol-2-yl)-N1,N1-dimethyl-benzene-1,4-diamine N4-(1,3-benzothiazol-2-yl)-N1,N1…

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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) 4.59 8.67 -8.46 1 3 0 28 269.373 3 ↓

Analogs

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Popular Name: 3-(1,3-benzothiazol-2-ylamino)benzoic 3-(1,3-benzothiazol-2-ylamino)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) 4.37 8.14 -49.2 1 4 -1 65 269.305 3 ↓

Analogs

26513104
26513104

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Popular Name: N2-phenyl-1,3-benzothiazole-2,6-diamine N2-phenyl-1,3-benzothiazole-2,6-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 6.12 -8.14 3 3 0 51 241.319 2 ↓

Analogs

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Popular Name: N-[4-[(6-amino-1,3-benzothiazol-2-yl)amino]-3-methoxy-phenyl]methanesulfonamide N-[4-[(6-amino-1,3-benzothiazol-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50417-2-O Leishmania Infantum (cluster #2 Of 4), Other Other 10000 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50417 Z50417 Leishmania Infantum 10000 0.29 Functional ≤ 10μM

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 2.31 -16.23 4 7 0 106 364.452 5 ↓
Mid Mid (pH 6-8) 2.76 2.47 -49.49 3 7 -1 108 363.444 5 ↓

Analogs

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Popular Name: N-[3-methoxy-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]methanesulfonamide N-[3-methoxy-4-[(6-nitro-1,3-ben…

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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) 3.64 5.14 -15.77 2 9 0 126 394.434 6 ↓
Mid Mid (pH 6-8) 3.64 5.3 -42.48 1 9 -1 128 393.426 6 ↓

Analogs

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Popular Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenol 3-[(6-nitro-1,3-benzothiazol-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) 3.92 6.1 -8.46 2 6 0 91 287.3 3 ↓

Analogs

26513104
26513104

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Popular Name: N2-(4-dimethylaminophenyl)-1,3-benzothiazole-2,6-diamine N2-(4-dimethylaminophenyl)-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) 3.64 6.53 -8.98 3 4 0 54 284.388 3 ↓
Mid Mid (pH 6-8) 3.64 7.29 -46.76 4 4 0 55 285.396 3 ↓

Analogs

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Popular Name: 6-nitro-N-phenyl-1,3-benzothiazol-2-amine 6-nitro-N-phenyl-1,3-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) 4.42 8.95 -7.38 1 5 0 71 271.301 3 ↓

Analogs

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Popular Name: 2-(1,3-benzothiazol-2-ylamino)-4-chloro-benzonitrile 2-(1,3-benzothiazol-2-ylamino)-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) 4.85 8.51 -9.58 1 3 0 49 285.759 2 ↓

Analogs

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Popular Name: 4-(1,3-benzothiazol-2-ylamino)-3-chloro-benzonitrile 4-(1,3-benzothiazol-2-ylamino)-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) 4.85 8.4 -8.56 1 3 0 49 285.759 2 ↓

Analogs

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Popular Name: 4-(1,3-benzothiazol-2-ylamino)-3-chloro-benzenecarbothioamide 4-(1,3-benzothiazol-2-ylamino)-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) 4.89 7.23 -14.46 3 3 0 51 319.842 3 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-1,3-benzothiazol-2-amine N-[3-(2-aminoethoxy)phenyl]-1,3-…

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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) 3.32 5.28 -50.23 4 4 1 62 286.38 5 ↓
Hi High (pH 8-9.5) 3.32 4.84 -9.29 3 4 0 60 285.372 5 ↓

Analogs

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Popular Name: 4-(1,3-benzothiazol-2-ylamino)-3,5-difluoro-benzoic 4-(1,3-benzothiazol-2-ylamino)-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) 4.58 8.61 -42.41 1 4 -1 65 305.285 3 ↓

Analogs

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Popular Name: 4-(1,3-benzothiazol-2-ylamino)-3-fluoro-benzoic 4-(1,3-benzothiazol-2-ylamino)-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) 4.49 8.23 -45.23 1 4 -1 65 287.295 3 ↓

Analogs

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Popular Name: 4-amino-2-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzoic 4-amino-2-[(6-chloro-1,3-benzoth…

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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 7.57 -47.31 3 5 -1 91 318.765 3 ↓

Analogs

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Popular Name: 4-amino-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzoic 4-amino-2-[(6-methyl-1,3-benzoth…

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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 7.72 -50.99 3 5 -1 91 298.347 3 ↓

Analogs

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Popular Name: 4-amino-2-(1,3-benzothiazol-2-ylamino)benzoic 4-amino-2-(1,3-benzothiazol-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) 3.58 6.36 -55.5 3 5 -1 91 284.32 3 ↓

Analogs

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Popular Name: 5-fluoro-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine 5-fluoro-N-(2,4,6-trichloropheny…

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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) 6.52 9.66 -5.58 1 2 0 25 347.629 2 ↓

Analogs

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Popular Name: 7-chloro-N-(4-iodophenyl)-1,3-benzothiazol-2-amine 7-chloro-N-(4-iodophenyl)-1,3-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) 6.20 9.82 -6.35 1 2 0 25 386.645 2 ↓

Analogs

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Popular Name: 5-bromo-N-(4-iodophenyl)-1,3-benzothiazol-2-amine 5-bromo-N-(4-iodophenyl)-1,3-ben…

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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) 6.36 9.95 -5.95 1 2 0 25 431.096 2 ↓

Analogs

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Popular Name: 5-fluoro-N-(4-iodophenyl)-1,3-benzothiazol-2-amine 5-fluoro-N-(4-iodophenyl)-1,3-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) 5.71 9.4 -6.59 1 2 0 25 370.19 2 ↓

Analogs

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Popular Name: 5-chloro-N-(4-iodophenyl)-1,3-benzothiazol-2-amine 5-chloro-N-(4-iodophenyl)-1,3-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) 6.22 9.84 -6.09 1 2 0 25 386.645 2 ↓

Analogs

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Popular Name: 7-chloro-N-(3-iodophenyl)-1,3-benzothiazol-2-amine 7-chloro-N-(3-iodophenyl)-1,3-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) 6.18 9.84 -5.78 1 2 0 25 386.645 2 ↓

Analogs

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Popular Name: 5-bromo-N-(3-iodophenyl)-1,3-benzothiazol-2-amine 5-bromo-N-(3-iodophenyl)-1,3-ben…

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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 9.95 -4.98 1 2 0 25 431.096 2 ↓

Analogs

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Popular Name: 5-fluoro-N-(3-iodophenyl)-1,3-benzothiazol-2-amine 5-fluoro-N-(3-iodophenyl)-1,3-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) 5.69 9.4 -5.58 1 2 0 25 370.19 2 ↓

Analogs

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Popular Name: 5-chloro-N-(3-iodophenyl)-1,3-benzothiazol-2-amine 5-chloro-N-(3-iodophenyl)-1,3-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) 6.20 9.84 -5.06 1 2 0 25 386.645 2 ↓

Analogs

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Popular Name: 7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine 7-chloro-N-(2-iodophenyl)-1,3-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) 6.15 10.08 -5.67 1 2 0 25 386.645 2 ↓

Analogs

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Popular Name: 5-bromo-N-(2-iodophenyl)-1,3-benzothiazol-2-amine 5-bromo-N-(2-iodophenyl)-1,3-ben…

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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) 6.31 10.18 -4.47 1 2 0 25 431.096 2 ↓

Analogs

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Popular Name: 5-fluoro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine 5-fluoro-N-(2-iodophenyl)-1,3-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) 5.66 9.64 -4.94 1 2 0 25 370.19 2 ↓

Analogs

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Popular Name: 5-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine 5-chloro-N-(2-iodophenyl)-1,3-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) 6.18 10.08 -4.56 1 2 0 25 386.645 2 ↓

Analogs

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Popular Name: 7-chloro-N-(3-chloro-4-fluoro-phenyl)-1,3-benzothiazol-2-amine 7-chloro-N-(3-chloro-4-fluoro-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) 5.89 9.28 -6.5 1 2 0 25 313.184 2 ↓

Analogs

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Popular Name: 5-bromo-N-(3-chloro-4-fluoro-phenyl)-1,3-benzothiazol-2-amine 5-bromo-N-(3-chloro-4-fluoro-phe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.04 9.41 -5.92 1 2 0 25 357.635 2 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-5-fluoro-1,3-benzothiazol-2-amine N-(3-chloro-4-fluoro-phenyl)-5-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) 5.40 8.87 -6.54 1 2 0 25 296.729 2 ↓

Analogs

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Popular Name: 5-chloro-N-(3-chloro-4-fluoro-phenyl)-1,3-benzothiazol-2-amine 5-chloro-N-(3-chloro-4-fluoro-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) 5.91 9.31 -5.99 1 2 0 25 313.184 2 ↓

Analogs

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Popular Name: N-[4-[(7-chloro-1,3-benzothiazol-2-yl)amino]phenyl]acetamide N-[4-[(7-chloro-1,3-benzothiazol…

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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 7.61 -14.59 2 4 0 54 317.801 3 ↓

Analogs

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Popular Name: N-[4-[(5-bromo-1,3-benzothiazol-2-yl)amino]phenyl]acetamide N-[4-[(5-bromo-1,3-benzothiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.49 7.72 -14.54 2 4 0 54 362.252 3 ↓

Analogs

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Popular Name: N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]acetamide N-[4-[(5-fluoro-1,3-benzothiazol…

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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 7.17 -15.26 2 4 0 54 301.346 3 ↓

Analogs

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Popular Name: N-[4-[(5-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide N-[4-[(5-methyl-1,3-benzothiazol…

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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) 4.13 7.07 -12.85 2 4 0 54 297.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(5-chloro-1,3-benzothiazol-2-yl)amino]phenyl]acetamide N-[4-[(5-chloro-1,3-benzothiazol…

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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) 4.36 7.62 -14.7 2 4 0 54 317.801 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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