UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-propylphenoxy)-2-(3-thienyl)ethanamine (2R)-2-(4-propylphenoxy)-2-(3-th…

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) 3.27 7.24 -44.23 3 2 1 37 262.398 6 ↓
Hi High (pH 8-9.5) 3.27 6.94 -2.9 2 2 0 35 261.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-propylphenoxy)-2-(3-thienyl)ethanamine (2S)-2-(4-propylphenoxy)-2-(3-th…

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) 3.27 7.19 -43.74 3 2 1 37 262.398 6 ↓
Hi High (pH 8-9.5) 3.27 6.88 -4.26 2 2 0 35 261.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(4-propylphenoxy)-1-(3-thienyl)butan-2-amine (1S,2R)-1-(4-propylphenoxy)-1-(3…

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) 4.21 8.44 -42.57 3 2 1 37 290.452 7 ↓
Hi High (pH 8-9.5) 4.21 8.14 -3.43 2 2 0 35 289.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(4-propylphenoxy)-1-(3-thienyl)butan-2-amine (1R,2R)-1-(4-propylphenoxy)-1-(3…

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) 4.21 8.65 -38.64 3 2 1 37 290.452 7 ↓
Hi High (pH 8-9.5) 4.21 8.38 -2.8 2 2 0 35 289.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(4-propylphenoxy)-1-(3-thienyl)butan-2-amine (1S,2S)-1-(4-propylphenoxy)-1-(3…

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) 4.21 8.65 -39 3 2 1 37 290.452 7 ↓
Hi High (pH 8-9.5) 4.21 8.35 -2.48 2 2 0 35 289.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-(4-propylphenoxy)-1-(3-thienyl)butan-2-amine (1R,2S)-1-(4-propylphenoxy)-1-(3…

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) 4.21 8.47 -42.89 3 2 1 37 290.452 7 ↓
Hi High (pH 8-9.5) 4.21 8.17 -3.03 2 2 0 35 289.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(4-propylphenoxy)-1-(3-thienyl)propan-2-amine (1S,2R)-1-(4-propylphenoxy)-1-(3…

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) 3.67 7.36 -43.86 3 2 1 37 276.425 6 ↓
Hi High (pH 8-9.5) 3.67 7.05 -2.99 2 2 0 35 275.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(4-propylphenoxy)-1-(3-thienyl)propan-2-amine (1R,2R)-1-(4-propylphenoxy)-1-(3…

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) 3.67 7.73 -41.54 3 2 1 37 276.425 6 ↓
Hi High (pH 8-9.5) 3.67 7.49 -2.78 2 2 0 35 275.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(4-propylphenoxy)-1-(3-thienyl)propan-2-amine (1S,2S)-1-(4-propylphenoxy)-1-(3…

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) 3.67 7.73 -40.62 3 2 1 37 276.425 6 ↓
Hi High (pH 8-9.5) 3.67 7.41 -3.27 2 2 0 35 275.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-(4-propylphenoxy)-1-(3-thienyl)propan-2-amine (1R,2S)-1-(4-propylphenoxy)-1-(3…

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) 3.67 7.42 -44.39 3 2 1 37 276.425 6 ↓
Hi High (pH 8-9.5) 3.67 7.07 -3.59 2 2 0 35 275.417 6 ↓

Analogs

43472561
43472561

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-thienylmethoxy)aniline 4-(3-thienylmethoxy)aniline

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) 2.25 4.56 -5.03 2 2 0 35 205.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-thienylmethoxy)aniline 3-(3-thienylmethoxy)aniline

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) 2.23 4.57 -5.2 2 2 0 35 205.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-2-(3-thienylmethoxy)aniline 5-methoxy-2-(3-thienylmethoxy)an…

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) 2.65 3.97 -5.48 2 3 0 44 235.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-(3-thienylmethoxy)aniline 2-methyl-4-(3-thienylmethoxy)ani…

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) 3.04 5.33 -5.23 2 2 0 35 219.309 3 ↓

Analogs

43472561
43472561

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-(3-thienylmethoxy)aniline 4-fluoro-2-(3-thienylmethoxy)ani…

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) 2.75 4.75 -4.61 2 2 0 35 223.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(3-thienylmethoxy)aniline 5-chloro-2-(3-thienylmethoxy)ani…

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) 3.27 5.2 -3.97 2 2 0 35 239.727 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-(3-thienylmethoxy)aniline 4-methyl-2-(3-thienylmethoxy)ani…

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) 3.04 5.35 -4.36 2 2 0 35 219.309 3 ↓

Analogs

43477739
43477739

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-(3-thienylmethoxy)aniline 3-chloro-4-(3-thienylmethoxy)ani…

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 5.12 -5.95 2 2 0 35 239.727 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-(3-thienylmethoxy)aniline 4-methoxy-3-(3-thienylmethoxy)an…

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) 1.84 4.46 -7.71 2 3 0 44 235.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-4-(3-thienylmethoxy)aniline 3,5-dichloro-4-(3-thienylmethoxy…

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) 3.47 5.81 -5.17 2 2 0 35 274.172 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dibromo-4-(3-thienylmethoxy)aniline 3,5-dibromo-4-(3-thienylmethoxy)…

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) 3.73 6.04 -4.91 2 2 0 35 363.074 3 ↓

Analogs

43472561
43472561

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-(3-thienylmethoxy)aniline 3-fluoro-4-(3-thienylmethoxy)ani…

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) 2.35 4.63 -7.28 2 2 0 35 223.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-chloro-2-(3-thienylmethoxy)aniline 3-bromo-5-chloro-2-(3-thienylmet…

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) 4.00 6 -4.3 2 2 0 35 318.623 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-fluoro-2-(3-thienylmethoxy)aniline 3-bromo-5-fluoro-2-(3-thienylmet…

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) 3.49 5.56 -4.61 2 2 0 35 302.168 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-(3-thienylmethoxy)aniline 2-methyl-3-(3-thienylmethoxy)ani…

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) 3.01 5.42 -5.08 2 2 0 35 219.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-6-(3-thienylmethoxy)aniline 2-methyl-6-(3-thienylmethoxy)ani…

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) 3.01 5.45 -4.45 2 2 0 35 219.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-(3-thienylmethoxy)aniline 4-methyl-3-(3-thienylmethoxy)ani…

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 5.32 -5.1 2 2 0 35 219.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-thienylmethoxy)benzoic 4-(3-thienylmethoxy)benzoic

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) 3.09 7.26 -48.23 0 3 -1 49 233.268 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-thienylmethoxy)benzoic 3-(3-thienylmethoxy)benzoic

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) 3.06 7.25 -51.79 0 3 -1 49 233.268 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-4-(3-thienylmethoxy)benzoic 3-methoxy-4-(3-thienylmethoxy)be…

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) 2.68 7.15 -48.81 0 4 -1 59 263.294 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-thienylmethoxy)benzoic 2-(3-thienylmethoxy)benzoic

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) 3.12 8.01 -56.64 0 3 -1 49 233.268 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-thienylmethoxy)phenyl]acetic 2-[4-(3-thienylmethoxy)phenyl]ac…

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) 2.60 8.04 -46.02 0 3 -1 49 247.295 5 ↓

Analogs

42410697
42410697

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-4-(3-thienylmethoxy)benzonitrile 3-methoxy-4-(3-thienylmethoxy)be…

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) 2.52 7 -8.44 0 3 0 42 245.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-thienylmethoxy)phenyl]acetonitrile 2-[4-(3-thienylmethoxy)phenyl]ac…

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) 3.14 7.87 -10.22 0 2 0 33 229.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-thienylmethoxy)benzonitrile 4-(3-thienylmethoxy)benzonitrile

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) 2.93 7.09 -6.67 0 2 0 33 215.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-thienylmethoxy)benzonitrile 3-(3-thienylmethoxy)benzonitrile

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) 2.91 7.08 -7.28 0 2 0 33 215.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-thienylmethoxy)benzonitrile 2-(3-thienylmethoxy)benzonitrile

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) 2.88 7.12 -9.45 0 2 0 33 215.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-thienylmethoxy)benzenecarbothioamide 4-(3-thienylmethoxy)benzenecarbo…

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) 2.98 5.93 -14 2 2 0 35 249.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-thienylmethoxy)benzenecarbothioamide 2-(3-thienylmethoxy)benzenecarbo…

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) 2.93 6.26 -14.21 2 2 0 35 249.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-thienylmethoxy)benzenecarbothioamide 3-(3-thienylmethoxy)benzenecarbo…

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) 2.95 5.91 -15.68 2 2 0 35 249.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-4-(3-thienylmethoxy)benzenecarbothioamide 3-methoxy-4-(3-thienylmethoxy)be…

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) 2.57 5.83 -16.03 2 3 0 44 279.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-thienylmethoxy)phenyl]thioacetamide 2-[4-(3-thienylmethoxy)phenyl]th…

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) 2.27 6.48 -12.34 2 2 0 35 263.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-(3-thienylmethoxy)benzenecarbothioamide 2-fluoro-6-(3-thienylmethoxy)ben…

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) 3.04 6.43 -12.49 2 2 0 35 267.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-thienylmethoxy)phenyl]ethanone 1-[4-(3-thienylmethoxy)phenyl]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) 3.08 7.19 -8.22 0 2 0 26 232.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-thienylmethoxy)phenyl]ethanone 1-[2-(3-thienylmethoxy)phenyl]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) 3.03 8.38 -11.05 0 2 0 26 232.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-thienylmethoxy)phenyl]propan-1-one 1-[4-(3-thienylmethoxy)phenyl]pr…

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) 3.58 7.98 -8.05 0 2 0 26 246.331 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(3-thienylmethoxy)phenyl]butan-2-one 4-[4-(3-thienylmethoxy)phenyl]bu…

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) 3.42 8.82 -8.15 0 2 0 26 260.358 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(3-thienylmethoxy)phenyl]ethanone 1-[3-(3-thienylmethoxy)phenyl]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) 3.05 7.1 -10.81 0 2 0 26 232.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-methoxy-4-(3-thienylmethoxy)phenyl]ethanone 1-[3-methoxy-4-(3-thienylmethoxy…

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) 2.67 7.02 -11.4 0 3 0 36 262.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-thienylmethoxy)phenyl]propan-1-one 1-[2-(3-thienylmethoxy)phenyl]pr…

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) 3.53 9.2 -10.84 0 2 0 26 246.331 5 ↓

Parameters Provided:

ring.id = 43966
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 = 43966 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=43966&filter.purchasability=annotated

Embed Link to Results