UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-(2-sulfanylbenzimidazol-1-yl)benzonitrile 2-fluoro-6-(2-sulfanylbenzimidaz…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.79 9.82 -19.09 1 3 0 45 269.304 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-dimethylaminophenyl)benzimidazole-2-thiol 1-(4-dimethylaminophenyl)benzimi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 9.64 -14.36 1 3 0 24 269.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(6-chloro-3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperidine-4-carboxamide 1-[(6-chloro-3-methyl-2-thioxo-b…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.73 5.96 -18.68 2 5 0 56 338.864 3 ↓
Mid Mid (pH 6-8) 1.73 8.22 -50.84 3 5 1 57 339.872 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-1-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperidine-4-carboxamide N-cyclopropyl-1-[(3-methyl-2-thi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.81 8.5 -19.82 1 5 0 42 344.484 4 ↓
Lo Low (pH 4.5-6) 1.81 10.66 -50.45 2 5 1 43 345.492 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-6-(2,4-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione 5-chloro-6-(2,4-dichlorophenoxy)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.04 8.63 -11.35 2 3 0 41 345.638 2 ↓
Mid Mid (pH 6-8) 5.76 8.32 -35.56 1 3 -1 38 344.63 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 1-[(5-methylpyrazin-2-yl)methyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.83 6.63 -17.46 1 4 0 47 256.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 7-chloro-1-[(5-methylpyrazin-2-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.46 7.14 -13.48 1 4 0 47 290.779 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 5-fluoro-1-[(5-methylpyrazin-2-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.97 6.7 -16.71 1 4 0 47 274.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 5-bromo-1-[(5-methylpyrazin-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.62 7.26 -15.85 1 4 0 47 335.23 2 ↓
Hi High (pH 8-9.5) 3.35 6.99 -48.42 0 4 -1 44 334.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 5-chloro-1-[(5-methylpyrazin-2-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.49 7.15 -16.14 1 4 0 47 290.779 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 5-methyl-1-[(5-methylpyrazin-2-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.26 7.28 -12.93 1 4 0 47 270.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 4-fluoro-1-[(5-methylpyrazin-2-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.95 6.7 -18.72 1 4 0 47 274.324 2 ↓
Hi High (pH 8-9.5) 2.68 6.44 -54.81 0 4 -1 44 273.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-difluoro-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 6,7-difluoro-1-[(5-methylpyrazin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.06 6.56 -15.31 1 4 0 47 292.314 2 ↓
Hi High (pH 8-9.5) 2.79 6.42 -43.89 0 4 -1 44 291.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 6-fluoro-1-[(5-methylpyrazin-2-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.97 6.7 -15.57 1 4 0 47 274.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 5-fluoro-1-[(4R)-4,5,6,7-tetrahy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.89 -9.08 1 2 0 21 304.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 5-fluoro-1-[(4S)-4,5,6,7-tetrahy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.24 -11.26 1 2 0 21 304.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 4-fluoro-1-[(4R)-4,5,6,7-tetrahy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.59 9.88 -10.7 1 2 0 21 304.415 1 ↓
Hi High (pH 8-9.5) 4.32 9.43 -52.78 0 2 -1 18 303.407 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 4-fluoro-1-[(4S)-4,5,6,7-tetrahy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.59 10.25 -13.12 1 2 0 21 304.415 1 ↓
Hi High (pH 8-9.5) 4.32 9.99 -48.17 0 2 -1 18 303.407 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-difluoro-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 6,7-difluoro-1-[(4R)-4,5,6,7-tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.42 -10.82 1 2 0 21 322.405 1 ↓
Hi High (pH 8-9.5) 4.43 9.11 -36.17 0 2 -1 18 321.397 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-difluoro-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 6,7-difluoro-1-[(4S)-4,5,6,7-tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.23 -12.48 1 2 0 21 322.405 1 ↓
Hi High (pH 8-9.5) 4.43 9.98 -40.14 0 2 -1 18 321.397 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 6-fluoro-1-[(4R)-4,5,6,7-tetrahy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.89 -10.28 1 2 0 21 304.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 6-fluoro-1-[(4S)-4,5,6,7-tetrahy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.24 -11.08 1 2 0 21 304.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 7-chloro-1-[(1S)-1-(3-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.66 8.58 -11.84 1 2 0 21 294.832 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 7-chloro-1-[(1R)-1-(3-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.66 8.81 -10.72 1 2 0 21 294.832 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1S)-1-(3-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.17 8.94 -11.69 1 2 0 21 278.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1R)-1-(3-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.17 8.93 -11.66 1 2 0 21 278.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-bromo-1-[(1S)-1-(3-thienyl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.82 9.49 -11.04 1 2 0 21 339.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-bromo-1-[(1R)-1-(3-thienyl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.82 9.48 -11.02 1 2 0 21 339.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-chloro-1-[(1S)-1-(3-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.68 9.39 -11.24 1 2 0 21 294.832 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-chloro-1-[(1R)-1-(3-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.68 9.38 -11.2 1 2 0 21 294.832 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-methyl-1-[(1S)-1-(3-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.45 9.54 -12.11 1 2 0 21 274.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 5-methyl-1-[(1R)-1-(3-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.45 9.53 -12.09 1 2 0 21 274.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1S)-1-(3-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.15 8.94 -13.52 1 2 0 21 278.377 2 ↓
Hi High (pH 8-9.5) 3.87 8.59 -48.38 0 2 -1 18 277.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1R)-1-(3-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.15 8.92 -13.51 1 2 0 21 278.377 2 ↓
Hi High (pH 8-9.5) 3.87 8.59 -48.28 0 2 -1 18 277.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-difluoro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 6,7-difluoro-1-[(1S)-1-(3-thieny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.26 8.79 -12.4 1 2 0 21 296.367 2 ↓
Hi High (pH 8-9.5) 3.99 8.33 -38.47 0 2 -1 18 295.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-difluoro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 6,7-difluoro-1-[(1R)-1-(3-thieny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.26 8.62 -11.24 1 2 0 21 296.367 2 ↓
Hi High (pH 8-9.5) 3.99 8.29 -38.43 0 2 -1 18 295.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 6-fluoro-1-[(1S)-1-(3-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.17 8.94 -11.33 1 2 0 21 278.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole-2-thiol 6-fluoro-1-[(1R)-1-(3-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.17 8.92 -11.28 1 2 0 21 278.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-2-thiol 1-[2-[2-methoxyethyl(methyl)amin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.50 7.84 -44.77 2 4 1 34 266.39 6 ↓
Mid Mid (pH 6-8) 1.50 5.43 -15.11 1 4 0 33 265.382 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-2-thiol 7-chloro-1-[2-[2-methoxyethyl(me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.13 8.16 -38.14 2 4 1 34 300.835 6 ↓
Hi High (pH 8-9.5) 2.86 5.47 -47.48 0 4 -1 30 298.819 6 ↓
Mid Mid (pH 6-8) 2.13 5.73 -14.37 1 4 0 33 299.827 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-2-thiol 5-fluoro-1-[2-[2-methoxyethyl(me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.91 -47.6 2 4 1 34 284.38 6 ↓
Mid Mid (pH 6-8) 1.64 5.49 -13.84 1 4 0 33 283.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-2-thiol 5-bromo-1-[2-[2-methoxyethyl(met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.28 8.46 -46.64 2 4 1 34 345.286 6 ↓
Hi High (pH 8-9.5) 3.01 5.77 -46.01 0 4 -1 30 343.27 6 ↓
Mid Mid (pH 6-8) 2.28 6.05 -13.16 1 4 0 33 344.278 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-2-thiol 5-chloro-1-[2-[2-methoxyethyl(me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 8.36 -46.69 2 4 1 34 300.835 6 ↓
Hi High (pH 8-9.5) 2.88 5.66 -46.23 0 4 -1 30 298.819 6 ↓
Mid Mid (pH 6-8) 2.15 5.94 -13.42 1 4 0 33 299.827 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methyl-benzimidazole-2-thiol 1-[2-[2-methoxyethyl(methyl)amin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.92 8.54 -40.91 2 4 1 34 280.417 6 ↓
Mid Mid (pH 6-8) 1.92 6.12 -11.57 1 4 0 33 279.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-2-thiol 4-fluoro-1-[2-[2-methoxyethyl(me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.61 7.92 -49.14 2 4 1 34 284.38 6 ↓
Mid Mid (pH 6-8) 2.34 7.64 -57.83 1 4 0 31 283.372 6 ↓
Mid Mid (pH 6-8) 1.61 5.5 -15.72 1 4 0 33 283.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-difluoro-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-2-thiol 6,7-difluoro-1-[2-[2-methoxyethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.73 7.88 -39.08 2 4 1 34 302.37 6 ↓
Mid Mid (pH 6-8) 2.46 7.63 -40.45 1 4 0 31 301.362 6 ↓
Mid Mid (pH 6-8) 1.73 5.47 -14.28 1 4 0 33 301.362 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-2-thiol 6-fluoro-1-[2-[2-methoxyethyl(me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.91 -43.61 2 4 1 34 284.38 6 ↓
Mid Mid (pH 6-8) 1.64 5.5 -13.52 1 4 0 33 283.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(3-ethyl-2-thioxo-benzimidazol-1-yl)methyl]-4-piperidyl]benzamide N-[1-[(3-ethyl-2-thioxo-benzimid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.15 10.96 -24.99 1 5 0 42 394.544 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-difluoro-1H-benzimidazole-2-thiol 5,6-difluoro-1H-benzimidazole-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.65 4.27 -10.75 2 2 0 32 186.186 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-ethyl-benzimidazole-2-thione 1-[[4-(azepan-1-ylsulfonyl)piper…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.63 9.25 -17.6 0 7 0 54 437.635 5 ↓

Parameters Provided:

ring.id = 52580
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 52580 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=52580&filter.purchasability=annotated

Embed Link to Results