UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-carbamoyl-4H-indeno[1,2-d]thiazol-8-yl)oxymethylphosphonic (5-carbamoyl-4H-indeno[1,2-d]thi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
F16P1-1-E Fructose-1,6-bisphosphatase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 1 0.60 Binding ≤ 1μM
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 1 0.60 Binding ≤ 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) 0.44 0.3 -140.43 2 7 -2 128 324.254 4 ↓
Mid Mid (pH 6-8) 0.44 -0.83 -53.4 3 7 -1 126 325.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl isopropyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
F16P1-1-E Fructose-1,6-bisphosphatase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 10 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 10 0.31 Binding ≤ 1μM
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 10 0.31 Binding ≤ 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) 4.46 10.22 -19.77 2 9 0 116 537.619 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl isopropyl

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) 4.46 10.09 -22.79 2 9 0 116 537.619 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl isopropyl

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) 4.46 10.23 -23.86 2 9 0 116 537.619 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.10 5.78 -23.07 3 11 0 145 538.563 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
F16P1-1-E Fructose-1,6-bisphosphatase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 2 0.34 Binding ≤ 1μM
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 2 0.34 Binding ≤ 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) 2.10 5.87 -21.56 3 11 0 145 538.563 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.10 6.07 -20.13 3 11 0 145 538.563 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4H-indeno[3,2-d]thiazol-2-yl)-2-(2-thienyl)acetamide N-(4H-indeno[3,2-d]thiazol-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) 3.94 9.24 -21.89 1 3 0 42 312.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4H-indeno[3,2-d]thiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide N-(4H-indeno[3,2-d]thiazol-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) 5.24 11.87 -21.3 1 3 0 42 348.471 3 ↓

Analogs

26163
26163

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-dimethylaminophenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(4-dimethylaminophenyl)-4H-ind…

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) 4.41 8.9 -10.49 2 3 0 42 307.422 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-nitrophenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(2-nitrophenyl)-4H-indeno[3,2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-1-E Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8300 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 8300 0.32 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) 4.22 9.36 -16.12 2 5 0 85 309.35 2 ↓
Lo Low (pH 4.5-6) 4.22 9.34 -35.45 3 5 1 86 310.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-nitrophenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(3-nitrophenyl)-4H-indeno[3,2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-1-E Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8300 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 8300 0.32 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) 4.24 9.22 -15.22 2 5 0 85 309.35 2 ↓
Lo Low (pH 4.5-6) 4.24 9.38 -37.94 3 5 1 86 310.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-(trifluoromethyl)phenyl]-4H-indeno[3,2-d]thiazol-2-amine 6-[2-(trifluoromethyl)phenyl]-4H…

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) 5.16 9.4 -11.13 2 2 0 39 332.35 2 ↓
Lo Low (pH 4.5-6) 5.16 9.59 -31.06 3 2 1 40 333.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[3-(trifluoromethyl)phenyl]-4H-indeno[3,2-d]thiazol-2-amine 6-[3-(trifluoromethyl)phenyl]-4H…

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) 5.18 9.53 -11.01 2 2 0 39 332.35 2 ↓
Lo Low (pH 4.5-6) 5.18 9.73 -32.72 3 2 1 40 333.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-(trifluoromethyl)phenyl]-4H-indeno[3,2-d]thiazol-2-amine 6-[4-(trifluoromethyl)phenyl]-4H…

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) 5.20 9.52 -10.08 2 2 0 39 332.35 2 ↓
Lo Low (pH 4.5-6) 5.20 9.71 -33.07 3 2 1 40 333.358 2 ↓

Analogs

26163
26163

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,5-dimethylphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(2,5-dimethylphenyl)-4H-indeno…

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) 5.13 9.86 -8.67 2 2 0 39 292.407 1 ↓
Lo Low (pH 4.5-6) 5.13 10.05 -30.38 3 2 1 40 293.415 1 ↓

Analogs

26163
26163

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,4-dimethylphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(3,4-dimethylphenyl)-4H-indeno…

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) 5.13 9.72 -9.65 2 2 0 39 292.407 1 ↓
Lo Low (pH 4.5-6) 5.13 9.91 -30.77 3 2 1 40 293.415 1 ↓

Analogs

26163
26163

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,5-dimethylphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(3,5-dimethylphenyl)-4H-indeno…

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) 5.13 9.84 -9.51 2 2 0 39 292.407 1 ↓
Lo Low (pH 4.5-6) 5.13 10.03 -30.85 3 2 1 40 293.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,4-dimethoxyphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(3,4-dimethoxyphenyl)-4H-inden…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-1-E Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1600 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 1600 0.35 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) 3.95 7.74 -13.31 2 4 0 57 324.405 3 ↓
Lo Low (pH 4.5-6) 3.95 7.93 -35.83 3 4 1 59 325.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,4-dimethoxyphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(2,4-dimethoxyphenyl)-4H-inden…

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) 4.35 7.46 -11.75 2 4 0 57 324.405 3 ↓
Lo Low (pH 4.5-6) 4.35 7.65 -32.34 3 4 1 59 325.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,4,5-trimethoxyphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(3,4,5-trimethoxyphenyl)-4H-in…

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) 3.94 7.67 -14.23 2 5 0 67 354.431 4 ↓
Lo Low (pH 4.5-6) 3.94 7.87 -38.57 3 5 1 68 355.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,3,4-trimethoxyphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(2,3,4-trimethoxyphenyl)-4H-in…

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) 4.14 8.07 -13.24 2 5 0 67 354.431 4 ↓
Lo Low (pH 4.5-6) 4.14 8.27 -35.19 3 5 1 68 355.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(1,3-benzodioxol-5-yl)-4H-indeno[3,2-d]thiazol-2-amine 6-(1,3-benzodioxol-5-yl)-4H-inde…

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) 4.20 7.18 -12.58 2 4 0 57 308.362 1 ↓
Lo Low (pH 4.5-6) 4.20 7.37 -34.87 3 4 1 59 309.37 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,4-dichlorophenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(3,4-dichlorophenyl)-4H-indeno…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-1-E Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 8000 0.34 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) 5.59 9.49 -9.43 2 2 0 39 333.243 1 ↓
Lo Low (pH 4.5-6) 5.59 9.68 -32.83 3 2 1 40 334.251 1 ↓

Analogs

26163
26163

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(1-naphthyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(1-naphthyl)-4H-indeno[3,2-d]t…

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) 5.47 10.76 -10.12 2 2 0 39 314.413 1 ↓
Lo Low (pH 4.5-6) 5.47 10.95 -31.94 3 2 1 40 315.421 1 ↓

Analogs

26163
26163

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-naphthyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(2-naphthyl)-4H-indeno[3,2-d]t…

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) 5.49 10.78 -10.84 2 2 0 39 314.413 1 ↓
Lo Low (pH 4.5-6) 5.49 10.98 -32.51 3 2 1 40 315.421 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4H-indeno[3,2-d]thiazol-2-yl)-1-methylsulfonyl-piperidine-2-carboxamide (2R)-N-(4H-indeno[3,2-d]thiazol-…

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) 2.53 6.86 -20.48 1 6 0 79 377.491 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4H-indeno[3,2-d]thiazol-2-yl)-1-methylsulfonyl-piperidine-2-carboxamide (2S)-N-(4H-indeno[3,2-d]thiazol-…

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) 2.53 6.87 -20.56 1 6 0 79 377.491 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 2.70 7.29 -13.27 0 3 0 39 245.303 3 ↓

Parameters Provided:

ring.id = 15149
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 = 15149 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=15149&filter.purchasability=annotated

Embed Link to Results