Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_m514ghnb0ko09mepo6kjcm4v15, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazole-5-carbaldehyde 2-[methyl-[(1-methylpyrazol-4-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) 0.90 5.02 -11.22 0 5 0 51 236.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazol-5-yl]ethanone 1-[2-[methyl-[(1-methylpyrazol-4…

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) 1.01 5.79 -15.77 0 5 0 51 250.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazol-5-yl]ethanone 1-[4-methyl-2-[methyl-[(1-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) 1.23 6.34 -14.56 0 5 0 51 264.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-aminoethyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(1R)-1-aminoethyl]-N,4-dimeth…

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) -0.80 4.5 -47.15 3 5 1 62 266.394 4 ↓
Mid Mid (pH 6-8) -0.80 4.15 -11.34 2 5 0 60 265.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-aminoethyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(1S)-1-aminoethyl]-N,4-dimeth…

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) -0.80 4.51 -47.67 3 5 1 62 266.394 4 ↓
Mid Mid (pH 6-8) -0.80 4.17 -11.54 2 5 0 60 265.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-(aminomethyl)-N-methyl-N-[(1-m…

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) 0.29 3.32 -48.07 3 5 1 62 238.34 4 ↓
Mid Mid (pH 6-8) 0.29 2.92 -8.38 2 5 0 60 237.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-methyl-N…

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) -1.03 4 -47.7 3 5 1 62 252.367 4 ↓
Mid Mid (pH 6-8) -1.03 3.65 -11.26 2 5 0 60 251.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-methyl-N…

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) -1.03 4 -46.95 3 5 1 62 252.367 4 ↓
Mid Mid (pH 6-8) -1.03 3.65 -10.99 2 5 0 60 251.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine N,4-dimethyl-5-[(1R)-1-(methylam…

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) 1.45 6.21 -42.06 2 5 1 51 280.421 5 ↓
Hi High (pH 8-9.5) 1.45 4.93 -11.45 1 5 0 46 279.413 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-5-[(1S)-1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine N,4-dimethyl-5-[(1S)-1-(methylam…

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) 1.45 6.23 -42.57 2 5 1 51 280.421 5 ↓
Hi High (pH 8-9.5) 1.45 4.92 -10.77 1 5 0 46 279.413 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(1S)-1-(ethylamino)ethyl]-N,4…

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) 1.82 7.05 -41.31 2 5 1 51 294.448 6 ↓
Hi High (pH 8-9.5) 1.82 5.86 -11.06 1 5 0 46 293.44 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(1R)-1-(ethylamino)ethyl]-N,4…

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) 1.82 7.06 -40.47 2 5 1 51 294.448 6 ↓
Hi High (pH 8-9.5) 1.82 5.86 -10.41 1 5 0 46 293.44 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N,4-dimethyl-N-[(1-methylpyrazol…

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) 2.33 7.81 -41.91 2 5 1 51 308.475 7 ↓
Hi High (pH 8-9.5) 2.33 6.62 -10.93 1 5 0 46 307.467 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N,4-dimethyl-N-[(1-methylpyrazol…

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) 2.33 7.82 -41.03 2 5 1 51 308.475 7 ↓
Hi High (pH 8-9.5) 2.33 6.61 -10.32 1 5 0 46 307.467 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine N-methyl-5-(methylaminomethyl)-N…

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) 0.67 5.2 -43.58 2 5 1 51 252.367 5 ↓
Hi High (pH 8-9.5) 0.67 3.75 -10.88 1 5 0 46 251.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(ethylaminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-(ethylaminomethyl)-N-methyl-N-…

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) 1.04 6.06 -42.64 2 5 1 51 266.394 6 ↓
Hi High (pH 8-9.5) 1.04 4.68 -10.68 1 5 0 46 265.386 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)thiazol-2-amine N-methyl-N-[(1-methylpyrazol-4-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) 1.55 6.81 -43.36 2 5 1 51 280.421 7 ↓
Hi High (pH 8-9.5) 1.55 5.45 -10.59 1 5 0 46 279.413 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(isopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(isopropylamino)methyl]-N-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) 1.34 6.59 -41.01 2 5 1 51 280.421 6 ↓
Hi High (pH 8-9.5) 1.34 5.36 -10.55 1 5 0 46 279.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(tert-butylamino)methyl]-N-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) 1.85 7.02 -39.24 2 5 1 51 294.448 6 ↓
Hi High (pH 8-9.5) 1.85 5.76 -10.38 1 5 0 46 293.44 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(isobutylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(isobutylamino)methyl]-N-meth…

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) 1.79 7.5 -43.29 2 5 1 51 294.448 7 ↓
Hi High (pH 8-9.5) 1.79 6.28 -10.37 1 5 0 46 293.44 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(2-methoxyethylamino)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) 0.65 5.19 -42.53 2 6 1 60 296.42 8 ↓
Mid Mid (pH 6-8) 0.65 3.77 -9.9 1 6 0 55 295.412 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-5-[(1S)-1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine N-methyl-5-[(1S)-1-(methylamino)…

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) 1.23 5.7 -42.51 2 5 1 51 266.394 5 ↓
Hi High (pH 8-9.5) 1.23 4.4 -10.52 1 5 0 46 265.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-5-[(1R)-1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine N-methyl-5-[(1R)-1-(methylamino)…

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) 1.23 5.69 -41.8 2 5 1 51 266.394 5 ↓
Hi High (pH 8-9.5) 1.23 4.44 -11.18 1 5 0 46 265.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(1S)-1-(ethylamino)ethyl]-N-m…

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) 1.60 6.55 -41.09 2 5 1 51 280.421 6 ↓
Hi High (pH 8-9.5) 1.60 5.37 -10.75 1 5 0 46 279.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(1R)-1-(ethylamino)ethyl]-N-m…

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) 1.60 6.55 -40.52 2 5 1 51 280.421 6 ↓
Hi High (pH 8-9.5) 1.60 5.34 -10.16 1 5 0 46 279.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N-methyl-N-[(1-methylpyrazol-4-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) 2.11 7.31 -41.68 2 5 1 51 294.448 7 ↓
Hi High (pH 8-9.5) 2.11 6.13 -10.68 1 5 0 46 293.44 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N-methyl-N-[(1-methylpyrazol-4-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) 2.11 7.31 -41.1 2 5 1 51 294.448 7 ↓
Hi High (pH 8-9.5) 2.11 6.09 -10.09 1 5 0 46 293.44 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazole-5-carboxylic 2-[methyl-[(1-methylpyrazol-4-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) 0.68 5.87 -53.88 0 6 -1 74 251.291 4 ↓
Lo Low (pH 4.5-6) 0.68 6.32 -44.13 1 6 0 75 252.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-[methyl-[(1-m…

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) 0.90 3.88 -13.7 1 5 0 54 266.37 4 ↓
Lo Low (pH 4.5-6) 0.90 4.28 -30.15 2 5 1 55 267.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazol-5-yl]ethanol (1S)-1-[4-methyl-2-[methyl-[(1-m…

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) 0.90 3.89 -13.44 1 5 0 54 266.37 4 ↓
Lo Low (pH 4.5-6) 0.90 4.29 -30.46 2 5 1 55 267.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazol-5-yl]methanol [2-[methyl-[(1-methylpyrazol-4-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) 0.45 2.58 -10.68 1 5 0 54 238.316 4 ↓
Lo Low (pH 4.5-6) 0.45 3.03 -31.69 2 5 1 55 239.324 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazol-5-yl]ethanol (1S)-1-[2-[methyl-[(1-methylpyra…

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) 0.67 3.37 -12.98 1 5 0 54 252.343 4 ↓
Lo Low (pH 4.5-6) 0.67 3.85 -32.17 2 5 1 55 253.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazol-5-yl]ethanol (1R)-1-[2-[methyl-[(1-methylpyra…

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) 0.67 3.37 -13.25 1 5 0 54 252.343 4 ↓
Lo Low (pH 4.5-6) 0.67 3.83 -31.86 2 5 1 55 253.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazole-5-carbaldehyde 4-methyl-2-[methyl-[(1-methylpyr…

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) 1.12 5.55 -15.92 0 5 0 51 250.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazole-5-carbaldehyde 4-ethyl-2-[methyl-[(1-methylpyra…

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) 1.69 6.28 -15.44 0 5 0 51 264.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propyl-thiazole-5-carbaldehyde 2-[methyl-[(1-methylpyrazol-4-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) 2.20 7.06 -15.13 0 5 0 51 278.381 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazole-5-carbaldehyde 4-tert-butyl-2-[methyl-[(1-methy…

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) 2.84 7.33 -14.77 0 5 0 51 292.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazole-5-carboxylic 4-methyl-2-[methyl-[(1-methylpyr…

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) 0.90 6.36 -59.72 0 6 -1 74 265.318 4 ↓
Mid Mid (pH 6-8) 0.90 6.77 -47.21 1 6 0 75 266.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazole-5-carboxylic 4-tert-butyl-2-[methyl-[(1-methy…

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 8.11 -57.8 0 6 -1 74 307.399 5 ↓
Mid Mid (pH 6-8) 2.63 8.44 -44.21 1 6 0 75 308.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]thiazole-5-carboxylic 4-ethyl-2-[methyl-[(1-methylpyra…

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) 1.48 7.08 -60.1 0 6 -1 74 279.345 5 ↓
Mid Mid (pH 6-8) 1.48 7.46 -47.2 1 6 0 75 280.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propyl-thiazole-5-carboxylic 2-[methyl-[(1-methylpyrazol-4-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) 1.98 7.86 -60.65 0 6 -1 74 293.372 6 ↓
Mid Mid (pH 6-8) 1.98 8.23 -47.27 1 6 0 75 294.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(ethylaminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propyl-thiazol-2-amine 5-(ethylaminomethyl)-N-methyl-N-…

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) 2.34 8.14 -43.03 2 5 1 51 308.475 8 ↓
Hi High (pH 8-9.5) 2.34 6.74 -10.83 1 5 0 46 307.467 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-(aminomethyl)-N,4-dimethyl-N-[…

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) 0.52 3.83 -49.46 3 5 1 62 252.367 4 ↓
Mid Mid (pH 6-8) 0.52 3.43 -11.52 2 5 0 60 251.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-4-tert-butyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-(aminomethyl)-4-tert-butyl-N-m…

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) 2.24 5.7 -48.85 3 5 1 62 294.448 5 ↓
Mid Mid (pH 6-8) 2.24 5.38 -11.14 2 5 0 60 293.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-(aminomethyl)-4-ethyl-N-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) 1.09 4.62 -49.52 3 5 1 62 266.394 5 ↓
Mid Mid (pH 6-8) 1.09 4.22 -11.72 2 5 0 60 265.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propyl-thiazol-2-amine 5-(aminomethyl)-N-methyl-N-[(1-m…

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) 1.59 5.38 -49.42 3 5 1 62 280.421 6 ↓
Mid Mid (pH 6-8) 1.59 5 -11.52 2 5 0 60 279.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine N,4-dimethyl-5-(methylaminomethy…

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) 0.89 5.7 -44.03 2 5 1 51 266.394 5 ↓
Hi High (pH 8-9.5) 0.89 4.26 -11.14 1 5 0 46 265.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(ethylaminomethyl)-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-(ethylaminomethyl)-N,4-dimethy…

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) 1.26 6.59 -43.18 2 5 1 51 280.421 6 ↓
Hi High (pH 8-9.5) 1.26 5.22 -10.71 1 5 0 46 279.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)thiazol-2-amine N,4-dimethyl-N-[(1-methylpyrazol…

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) 1.77 7.34 -43.88 2 5 1 51 294.448 7 ↓
Hi High (pH 8-9.5) 1.77 5.98 -10.61 1 5 0 46 293.44 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(isopropylamino)methyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiazol-2-amine 5-[(isopropylamino)methyl]-N,4-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) 1.56 7.08 -41.23 2 5 1 51 294.448 6 ↓
Hi High (pH 8-9.5) 1.56 5.9 -10.68 1 5 0 46 293.44 6 ↓

Parameters Provided:

ring.id = 157609
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 = 157609 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=157609&filter.purchasability=annotated

Embed Link to Results