UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(2-thienyl)methanamine (S)-5,6-dihydro-4H-cyclopenta[d]…

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) 2.43 4.16 -6.13 2 2 0 39 236.365 2 ↓
Mid Mid (pH 6-8) 2.43 4.51 -39.55 3 2 1 41 237.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(2-thienyl)methanamine (R)-5,6-dihydro-4H-cyclopenta[d]…

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) 2.43 4.16 -6.53 2 2 0 39 236.365 2 ↓
Mid Mid (pH 6-8) 2.43 4.51 -39.54 3 2 1 41 237.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-1-(2-thienyl)methanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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) 2.80 4.93 -7.33 1 2 0 25 250.392 3 ↓
Mid Mid (pH 6-8) 2.80 6.25 -34.59 2 2 1 29 251.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-1-(2-thienyl)methanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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) 2.80 4.92 -6.79 1 2 0 25 250.392 3 ↓
Mid Mid (pH 6-8) 2.80 6.23 -34.72 2 2 1 29 251.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(2-thienyl)methyl]ethanamine N-[(S)-5,6-dihydro-4H-cyclopenta…

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) 3.18 5.87 -7.11 1 2 0 25 264.419 4 ↓
Mid Mid (pH 6-8) 3.18 7.1 -32.89 2 2 1 29 265.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(2-thienyl)methyl]ethanamine N-[(R)-5,6-dihydro-4H-cyclopenta…

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) 3.18 5.86 -6.51 1 2 0 25 264.419 4 ↓
Mid Mid (pH 6-8) 3.18 7.1 -32.84 2 2 1 29 265.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(2-thienyl)methyl]propan-1-amine N-[(S)-5,6-dihydro-4H-cyclopenta…

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 6.67 -6.39 1 2 0 25 278.446 5 ↓
Mid Mid (pH 6-8) 3.68 7.85 -33.24 2 2 1 29 279.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(2-thienyl)methyl]propan-1-amine N-[(R)-5,6-dihydro-4H-cyclopenta…

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 6.61 -6.35 1 2 0 25 278.446 5 ↓
Mid Mid (pH 6-8) 3.68 7.85 -33.16 2 2 1 29 279.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(2-thienyl)methyl]propan-2-amine N-[(S)-5,6-dihydro-4H-cyclopenta…

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) 3.48 6.56 -6.83 1 2 0 25 278.446 4 ↓
Mid Mid (pH 6-8) 3.48 7.61 -30.21 2 2 1 29 279.454 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(2-thienyl)methyl]propan-2-amine N-[(R)-5,6-dihydro-4H-cyclopenta…

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) 3.48 6.55 -6.27 1 2 0 25 278.446 4 ↓
Mid Mid (pH 6-8) 3.48 7.63 -30.16 2 2 1 29 279.454 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(3-methyl-2-thienyl)methanamine (S)-5,6-dihydro-4H-cyclopenta[d]…

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) 2.81 4.71 -6.37 2 2 0 39 250.392 2 ↓
Mid Mid (pH 6-8) 2.81 5.04 -38.7 3 2 1 41 251.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(3-methyl-2-thienyl)methanamine (R)-5,6-dihydro-4H-cyclopenta[d]…

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) 2.81 4.7 -6.77 2 2 0 39 250.392 2 ↓
Mid Mid (pH 6-8) 2.81 5.03 -38.95 3 2 1 41 251.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-1-(3-methyl-2-thienyl)methanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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) 3.18 5.47 -7.2 1 2 0 25 264.419 3 ↓
Mid Mid (pH 6-8) 3.18 6.8 -33.95 2 2 1 29 265.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-1-(3-methyl-2-thienyl)methanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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) 3.18 5.47 -7.61 1 2 0 25 264.419 3 ↓
Mid Mid (pH 6-8) 3.18 6.75 -34.27 2 2 1 29 265.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(3-methyl-2-thienyl)methyl]ethanamine N-[(S)-5,6-dihydro-4H-cyclopenta…

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) 3.56 6.42 -7.4 1 2 0 25 278.446 4 ↓
Mid Mid (pH 6-8) 3.56 7.66 -32.18 2 2 1 29 279.454 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(3-methyl-2-thienyl)methyl]ethanamine N-[(R)-5,6-dihydro-4H-cyclopenta…

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) 3.56 6.4 -6.86 1 2 0 25 278.446 4 ↓
Mid Mid (pH 6-8) 3.56 7.65 -32.31 2 2 1 29 279.454 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(3-methyl-2-thienyl)methyl]propan-1-amine N-[(S)-5,6-dihydro-4H-cyclopenta…

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) 4.06 7.21 -6.66 1 2 0 25 292.473 5 ↓
Mid Mid (pH 6-8) 4.06 8.41 -32.48 2 2 1 29 293.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(3-methyl-2-thienyl)methyl]propan-1-amine N-[(R)-5,6-dihydro-4H-cyclopenta…

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) 4.06 7.16 -6.71 1 2 0 25 292.473 5 ↓
Mid Mid (pH 6-8) 4.06 8.4 -32.59 2 2 1 29 293.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(3-methyl-2-thienyl)methyl]propan-2-amine N-[(S)-5,6-dihydro-4H-cyclopenta…

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) 3.85 6.95 -6.63 1 2 0 25 292.473 4 ↓
Mid Mid (pH 6-8) 3.85 8.17 -29.56 2 2 1 29 293.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(3-methyl-2-thienyl)methyl]propan-2-amine N-[(R)-5,6-dihydro-4H-cyclopenta…

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) 3.85 7.14 -6.62 1 2 0 25 292.473 4 ↓
Mid Mid (pH 6-8) 3.85 8.13 -29.81 2 2 1 29 293.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(5-methyl-2-thienyl)methanamine (S)-5,6-dihydro-4H-cyclopenta[d]…

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 5 -6.44 2 2 0 39 250.392 2 ↓
Mid Mid (pH 6-8) 2.65 5.34 -39.39 3 2 1 41 251.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(5-methyl-2-thienyl)methanamine (R)-5,6-dihydro-4H-cyclopenta[d]…

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 4.99 -6.81 2 2 0 39 250.392 2 ↓
Mid Mid (pH 6-8) 2.65 5.34 -39.33 3 2 1 41 251.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-1-(5-methyl-2-thienyl)methanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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 5.77 -7.12 1 2 0 25 264.419 3 ↓
Mid Mid (pH 6-8) 3.03 7.07 -34.42 2 2 1 29 265.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-1-(5-methyl-2-thienyl)methanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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 5.76 -7.56 1 2 0 25 264.419 3 ↓
Mid Mid (pH 6-8) 3.03 7.06 -34.49 2 2 1 29 265.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(5-methyl-2-thienyl)methyl]ethanamine N-[(S)-5,6-dihydro-4H-cyclopenta…

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) 3.40 6.7 -7.39 1 2 0 25 278.446 4 ↓
Mid Mid (pH 6-8) 3.40 7.93 -32.8 2 2 1 29 279.454 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(5-methyl-2-thienyl)methyl]ethanamine N-[(R)-5,6-dihydro-4H-cyclopenta…

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) 3.40 6.69 -6.88 1 2 0 25 278.446 4 ↓
Mid Mid (pH 6-8) 3.40 7.91 -32.85 2 2 1 29 279.454 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(5-methyl-2-thienyl)methyl]propan-1-amine N-[(S)-5,6-dihydro-4H-cyclopenta…

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) 3.91 7.46 -7.2 1 2 0 25 292.473 5 ↓
Mid Mid (pH 6-8) 3.91 8.68 -33.04 2 2 1 29 293.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(5-methyl-2-thienyl)methyl]propan-1-amine N-[(R)-5,6-dihydro-4H-cyclopenta…

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) 3.91 7.45 -6.7 1 2 0 25 292.473 5 ↓
Mid Mid (pH 6-8) 3.91 8.67 -33.15 2 2 1 29 293.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(5-methyl-2-thienyl)methyl]propan-2-amine N-[(S)-5,6-dihydro-4H-cyclopenta…

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) 3.70 7.39 -6.61 1 2 0 25 292.473 4 ↓
Mid Mid (pH 6-8) 3.70 8.45 -30 2 2 1 29 293.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(5-methyl-2-thienyl)methyl]propan-2-amine N-[(R)-5,6-dihydro-4H-cyclopenta…

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) 3.70 7.39 -7.08 1 2 0 25 292.473 4 ↓
Mid Mid (pH 6-8) 3.70 8.43 -30.07 2 2 1 29 293.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methanamine (S)-(4-bromo-2-thienyl)-(5,6-dih…

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 4.77 -5.63 2 2 0 39 315.261 2 ↓
Mid Mid (pH 6-8) 3.17 5.12 -42.12 3 2 1 41 316.269 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methanamine (R)-(4-bromo-2-thienyl)-(5,6-dih…

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 4.77 -5.13 2 2 0 39 315.261 2 ↓
Mid Mid (pH 6-8) 3.17 5.12 -42.09 3 2 1 41 316.269 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromo-2-thienyl)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-methanamine (1S)-1-(4-bromo-2-thienyl)-1-(5,…

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) 3.54 5.54 -6.23 1 2 0 25 329.288 3 ↓
Mid Mid (pH 6-8) 3.54 6.85 -36.73 2 2 1 29 330.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromo-2-thienyl)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-methanamine (1R)-1-(4-bromo-2-thienyl)-1-(5,…

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) 3.54 5.53 -5.59 1 2 0 25 329.288 3 ↓
Mid Mid (pH 6-8) 3.54 6.84 -36.91 2 2 1 29 330.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]ethanamine N-[(S)-(4-bromo-2-thienyl)-(5,6-…

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) 3.92 6.48 -5.97 1 2 0 25 343.315 4 ↓
Mid Mid (pH 6-8) 3.92 7.71 -34.89 2 2 1 29 344.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]ethanamine N-[(R)-(4-bromo-2-thienyl)-(5,6-…

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) 3.92 6.47 -5.35 1 2 0 25 343.315 4 ↓
Mid Mid (pH 6-8) 3.92 7.69 -35.08 2 2 1 29 344.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]propan-1-amine N-[(S)-(4-bromo-2-thienyl)-(5,6-…

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) 4.42 7.28 -5.37 1 2 0 25 357.342 5 ↓
Mid Mid (pH 6-8) 4.42 8.46 -35.28 2 2 1 29 358.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]propan-1-amine N-[(R)-(4-bromo-2-thienyl)-(5,6-…

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) 4.42 7.22 -5.18 1 2 0 25 357.342 5 ↓
Mid Mid (pH 6-8) 4.42 8.46 -35.22 2 2 1 29 358.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]propan-2-amine N-[(S)-(4-bromo-2-thienyl)-(5,6-…

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 7.22 -5.3 1 2 0 25 357.342 4 ↓
Mid Mid (pH 6-8) 4.21 8.22 -32.11 2 2 1 29 358.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]propan-2-amine N-[(R)-(4-bromo-2-thienyl)-(5,6-…

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 7.27 -4.55 1 2 0 25 357.342 4 ↓
Mid Mid (pH 6-8) 4.21 8.2 -32.24 2 2 1 29 358.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methanamine (S)-(5-bromo-2-thienyl)-(5,6-dih…

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) 3.36 4.89 -6.22 2 2 0 39 315.261 2 ↓
Mid Mid (pH 6-8) 3.36 5.24 -43.05 3 2 1 41 316.269 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methanamine (R)-(5-bromo-2-thienyl)-(5,6-dih…

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) 3.36 4.89 -5.76 2 2 0 39 315.261 2 ↓
Mid Mid (pH 6-8) 3.36 5.24 -43 3 2 1 41 316.269 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-bromo-2-thienyl)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-methanamine (1S)-1-(5-bromo-2-thienyl)-1-(5,…

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) 3.74 5.66 -6.86 1 2 0 25 329.288 3 ↓
Mid Mid (pH 6-8) 3.74 6.98 -37.79 2 2 1 29 330.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-bromo-2-thienyl)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-methanamine (1R)-1-(5-bromo-2-thienyl)-1-(5,…

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) 3.74 5.65 -6.4 1 2 0 25 329.288 3 ↓
Mid Mid (pH 6-8) 3.74 6.96 -37.86 2 2 1 29 330.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]ethanamine N-[(S)-(5-bromo-2-thienyl)-(5,6-…

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) 4.11 6.6 -6.69 1 2 0 25 343.315 4 ↓
Mid Mid (pH 6-8) 4.11 7.83 -36.03 2 2 1 29 344.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]ethanamine N-[(R)-(5-bromo-2-thienyl)-(5,6-…

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) 4.11 6.59 -6.14 1 2 0 25 343.315 4 ↓
Mid Mid (pH 6-8) 4.11 7.81 -36.19 2 2 1 29 344.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]propan-1-amine N-[(S)-(5-bromo-2-thienyl)-(5,6-…

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) 4.62 7.4 -6 1 2 0 25 357.342 5 ↓
Mid Mid (pH 6-8) 4.62 8.58 -36.48 2 2 1 29 358.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]propan-1-amine N-[(R)-(5-bromo-2-thienyl)-(5,6-…

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) 4.62 7.34 -5.95 1 2 0 25 357.342 5 ↓
Mid Mid (pH 6-8) 4.62 8.58 -36.43 2 2 1 29 358.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]propan-2-amine N-[(S)-(5-bromo-2-thienyl)-(5,6-…

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 7.34 -5.85 1 2 0 25 357.342 4 ↓
Mid Mid (pH 6-8) 4.41 8.34 -32.99 2 2 1 29 358.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-bromo-2-thienyl)-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl]propan-2-amine N-[(R)-(5-bromo-2-thienyl)-(5,6-…

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 7.4 -5.24 1 2 0 25 357.342 4 ↓
Mid Mid (pH 6-8) 4.41 8.32 -33.1 2 2 1 29 358.35 4 ↓

Parameters Provided:

ring.id = 566830
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 = 566830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=566830&filter.purchasability=annotated

Embed Link to Results