UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-[3-(4-chloroanilino)-2-quinoxalinyl]-1-benzenesulfonamide N1-[3-(4-chloroanilino)-2-quinox…

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) 5.42 -4.32 -13.5 2 6 0 83 410.886 5 ↓
Hi High (pH 8-9.5) 5.42 -3.95 -42.95 1 6 -1 86 409.878 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-anilinoquinoxalin-2-yl)benzenesulfonamide N-(3-anilinoquinoxalin-2-yl)benz…

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) 4.74 -4.24 -13.87 2 6 0 83 376.441 5 ↓

Analogs

35465744
35465744

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(quinoxalin-6-ylmethyleneaminoamino)benzoic 4-(quinoxalin-6-ylmethyleneamino…

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) 4.45 6.72 -56.8 1 6 -1 90 291.29 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-phenyl-N-(quinoxalin-2-ylmethyleneamino)-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-amin 7-phenyl-N-(quinoxalin-2-ylmethy…

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) 4.47 10.13 -11.69 1 6 0 76 382.452 4 ↓

Analogs

13142216
13142216

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-(quinoxalin-5-ylmethyleneamino)benzamide 2-hydroxy-N-(quinoxalin-5-ylmeth…

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) 3.34 4.44 -22.21 2 6 0 87 292.298 3 ↓
Hi High (pH 8-9.5) 3.34 5.45 -69.36 1 6 -1 90 291.29 3 ↓

Analogs

39124252
39124252

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(1H-pyrrol-1-yl)quinoxaline 6-(1H-pyrrol-1-yl)quinoxaline

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) 2.18 0.44 -8.51 0 3 0 31 195.225 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-3-(3-methoxyquinoxalin-2-yl)-propanamide N-(3-chlorophenyl)-3-(3-methoxyq…

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 -2.64 -13.04 1 5 0 64 341.798 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-3-(3-methoxyquinoxalin-2-yl)-propanamide N-(2,5-dioxabicyclo[4.4.0]deca-7…

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) 2.92 -3.38 -13.93 1 7 0 82 365.389 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-methoxyquinoxalin-2-yl)-1-morpholino-propan-1-one 3-(3-methoxyquinoxalin-2-yl)-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) 1.80 -3.38 -11.51 0 6 0 64 301.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2,3-dimethyl-quinoxaline-6-carboxamide N-allyl-2,3-dimethyl-quinoxaline…

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) 1.99 3.74 -12.95 1 4 0 55 241.294 3 ↓

Analogs

8980285
8980285

Draw Identity 99% 90% 80% 70%

Popular Name: hexyl hexyl

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) 5.21 -0.64 -11.27 0 7 0 82 457.578 10 ↓

Analogs

8980284
8980284

Draw Identity 99% 90% 80% 70%

Popular Name: hexyl hexyl

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) 5.21 -0.64 -11.29 0 7 0 82 457.578 10 ↓

Analogs

8980287
8980287

Draw Identity 99% 90% 80% 70%

Popular Name: hexyl hexyl

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) 6.09 1.56 -12.87 0 7 0 82 525.575 11 ↓

Analogs

8980286
8980286

Draw Identity 99% 90% 80% 70%

Popular Name: hexyl hexyl

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) 6.09 1.54 -12.92 0 7 0 82 525.575 11 ↓

Analogs

8980289
8980289

Draw Identity 99% 90% 80% 70%

Popular Name: hexyl hexyl

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) 5.38 0.09 -12.3 0 7 0 82 475.568 10 ↓

Analogs

8980288
8980288

Draw Identity 99% 90% 80% 70%

Popular Name: hexyl hexyl

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) 5.38 0.1 -12.34 0 7 0 82 475.568 10 ↓

Analogs

8980291
8980291

Draw Identity 99% 90% 80% 70%

Popular Name: hexyl hexyl

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) 6.02 0.74 -10.81 0 7 0 82 485.632 10 ↓

Analogs

8980290
8980290

Draw Identity 99% 90% 80% 70%

Popular Name: hexyl hexyl

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) 6.02 0.74 -10.8 0 7 0 82 485.632 10 ↓

Analogs

8980293
8980293
2376124
2376124
2376126
2376126

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylbutyl 2-ethylbutyl

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) 4.89 -0.18 -11.01 0 7 0 82 457.578 9 ↓

Analogs

8980292
8980292
2376124
2376124

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylbutyl 2-ethylbutyl

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) 4.89 -0.27 -11.21 0 7 0 82 457.578 9 ↓

Analogs

8980295
8980295
2262890
2262890
2262891
2262891

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylbutyl 2-ethylbutyl

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) 5.76 1.93 -12.71 0 7 0 82 525.575 10 ↓

Analogs

8980294
8980294
2262890
2262890

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylbutyl 2-ethylbutyl

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) 5.76 1.92 -12.75 0 7 0 82 525.575 10 ↓

Analogs

8980297
8980297
2259634
2259634
2259635
2259635

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylbutyl 2-ethylbutyl

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) 5.06 0.56 -11.96 0 7 0 82 475.568 9 ↓

Analogs

8980296
8980296
2259634
2259634

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylbutyl 2-ethylbutyl

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) 5.06 0.47 -12.21 0 7 0 82 475.568 9 ↓

Analogs

8980299
8980299
2394759
2394759
2394760
2394760

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylbutyl 2-ethylbutyl

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) 5.69 1.13 -10.56 0 7 0 82 485.632 9 ↓

Analogs

2394759
2394759
2394760
2394760

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylbutyl 2-ethylbutyl

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) 5.69 1.2 -10.47 0 7 0 82 485.632 9 ↓

Analogs

8980301
8980301
2259828
2259828
2259829
2259829

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylbutyl 2-ethylbutyl

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) 5.55 -0.27 -11.67 0 7 0 82 492.023 9 ↓

Analogs

8980300
8980300
2259828
2259828

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylbutyl 2-ethylbutyl

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) 5.55 -0.4 -11.33 0 7 0 82 492.023 9 ↓

Analogs

8980303
8980303

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexyl cyclohexyl

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) 4.67 14.1 -12.02 0 7 0 82 455.562 6 ↓

Analogs

8980302
8980302

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexyl cyclohexyl

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) 4.67 14.2 -11.74 0 7 0 82 455.562 6 ↓

Analogs

8980305
8980305

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexyl cyclohexyl

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) 5.54 0.76 -13.17 0 7 0 82 523.559 7 ↓

Analogs

8980304
8980304

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexyl cyclohexyl

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) 5.54 0.77 -12.77 0 7 0 82 523.559 7 ↓

Analogs

2380171
2380171

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexyl cyclohexyl

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) 4.83 14.35 -13.12 0 7 0 82 473.552 6 ↓

Analogs

8980308
8980308

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexyl cyclohexyl

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 16.2 -11.26 0 7 0 82 483.616 6 ↓

Analogs

8980307
8980307

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexyl cyclohexyl

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 16.2 -11.26 0 7 0 82 483.616 6 ↓

Analogs

8980310
8980310

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexyl cyclohexyl

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) 5.33 14.79 -12.26 0 7 0 82 490.007 6 ↓

Analogs

8980309
8980309

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexyl cyclohexyl

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) 5.33 14.7 -12.11 0 7 0 82 490.007 6 ↓

Analogs

8980312
8980312

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-3-nitrido-propa 2-[3-[4-(4-fluorophenyl)piperazi…

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) 4.67 -3.02 -18.18 1 8 0 94 524.6 8 ↓

Analogs

8980311
8980311

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-3-nitrido-propa 2-[3-[4-(4-fluorophenyl)piperazi…

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) 4.67 -3.02 -18.04 1 8 0 94 524.6 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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) 1.63 -0.15 -11.7 1 8 0 107 331.328 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide N-[2-(trifluoromethyl)phenyl]qui…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 0.72 -9 1 4 0 54 317.27 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanophenyl)quinoxaline-2-carboxamide N-(2-cyanophenyl)quinoxaline-2-c…

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 5.43 -10.18 1 5 0 79 274.283 2 ↓
Hi High (pH 8-9.5) 2.64 3.76 -50.31 0 5 -1 85 273.275 2 ↓

Analogs

9561282
9561282
39370719
39370719

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-quinoxalin-2-amine N-(4-bromophenyl)-6,7-dichloro-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) 6.63 0.32 -5.99 1 5 0 55 463.166 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-hydroxypyrrolidin-1-yl]-quinoxalin-2-yl-methanone [(3S)-3-hydroxypyrrolidin-1-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 1.5 -10.68 1 5 0 66 243.266 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-hydroxypyrrolidin-1-yl]-quinoxalin-2-yl-methanone [(3R)-3-hydroxypyrrolidin-1-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 1.58 -11.47 1 5 0 66 243.266 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromo-2,4-dimethoxy-phenyl)-2-[(3-methylquinoxalin-2-yl)thio]ethanone 1-(5-bromo-2,4-dimethoxy-phenyl)…

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) 4.60 8.94 -12.66 0 5 0 61 433.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]quinoxaline-2-carboxamide N-[5-[[3-(trifluoromethyl)phenyl…

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) 4.99 -0.24 -15.27 1 5 0 68 414.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-amine 3-methyl-N-[(4-methyl-1,2,4-tria…

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) 0.96 6.5 -14.47 1 6 0 69 254.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(3-methylquinoxalin-2-yl)sulfanyl-4-phenyl-quinolin-2-ol 6-chloro-3-(3-methylquinoxalin-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.04 9.76 -19.68 1 4 0 59 429.932 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2-ethoxy-2-oxo-ethyl)sulfanylquinoxalin-2-yl]sulfanylacetic 2-[3-(2-ethoxy-2-oxo-ethyl)sulfa…

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) 2.66 7.01 -53.36 0 6 -1 92 337.402 8 ↓

Parameters Provided:

ring.id = 1318
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 = 1318 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=1318&filter.purchasability=annotated

Embed Link to Results