Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_a6skesr0s0o76plmgvpf28ur01, 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: N-cyclopropyl-3-(diethylsulfamoyl)-N-(2-pyridylmethyl)benzamide N-cyclopropyl-3-(diethylsulfamoy…

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) 1.54 7.9 -14.88 0 6 0 71 387.505 8 ↓
Lo Low (pH 4.5-6) 1.54 8 -50.19 1 6 1 72 388.513 8 ↓

Analogs

6676696
6676696

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3,4-dimethoxy-N-(2-pyridylmethyl)benzamide N-cyclopropyl-3,4-dimethoxy-N-(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) 1.15 7.4 -12.2 0 5 0 52 312.369 6 ↓
Lo Low (pH 4.5-6) 1.15 7.53 -46.27 1 5 1 53 313.377 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-(dimethylsulfamoyl)-N-(2-pyridylmethyl)benzamide N-cyclopropyl-4-(dimethylsulfamo…

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) 0.81 6.14 -15.26 0 6 0 71 359.451 6 ↓
Lo Low (pH 4.5-6) 0.81 6.28 -50.16 1 6 1 72 360.459 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-cyclopropyl-5-methoxy-N-(2-pyridylmethyl)benzamide 2-bromo-N-cyclopropyl-5-methoxy-…

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) 2.29 7.98 -10.76 0 4 0 42 361.239 5 ↓
Lo Low (pH 4.5-6) 2.29 8.19 -40.43 1 4 1 44 362.247 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(allylsulfamoyl)-N-cyclopropyl-N-(2-pyridylmethyl)benzamide 3-(allylsulfamoyl)-N-cyclopropyl…

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) 1.19 5.76 -15.5 1 6 0 79 371.462 8 ↓
Lo Low (pH 4.5-6) 1.19 5.85 -51.07 2 6 1 81 372.47 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-cyclopropyl-5-(methylsulfamoyl)-N-(2-pyridylmethyl)benzamide 2-chloro-N-cyclopropyl-5-(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) 1.17 5.8 -16.51 1 6 0 79 379.869 6 ↓
Lo Low (pH 4.5-6) 1.17 5.23 -42.73 2 6 1 81 380.877 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(2-pyridylmethyl)benzamide 4-chloro-N-cyclopropyl-3-(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) 1.42 6.51 -14.42 0 6 0 71 393.896 6 ↓
Lo Low (pH 4.5-6) 1.42 6.55 -51.6 1 6 1 72 394.904 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3-(ethylsulfamoyl)-N-(2-pyridylmethyl)benzamide N-cyclopropyl-3-(ethylsulfamoyl)…

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) 0.92 5.21 -15.66 1 6 0 79 359.451 7 ↓
Lo Low (pH 4.5-6) 0.92 5.3 -51.1 2 6 1 81 360.459 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-(isopropylsulfamoyl)-N-(2-pyridylmethyl)benzamide N-cyclopropyl-4-(isopropylsulfam…

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) 1.24 5.85 -15.01 1 6 0 79 373.478 7 ↓
Lo Low (pH 4.5-6) 1.24 5.87 -49.75 2 6 1 81 374.486 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-cyclopropyl-4-isobutoxy-5-methoxy-N-(2-pyridylmethyl)benzamide 3-chloro-N-cyclopropyl-4-isobuto…

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) 3.07 10.45 -10.14 0 5 0 52 388.895 8 ↓
Lo Low (pH 4.5-6) 3.07 10.59 -42.41 1 5 1 53 389.903 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3-(isopropylsulfamoyl)-N-(2-pyridylmethyl)benzamide N-cyclopropyl-3-(isopropylsulfam…

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) 1.22 5.85 -15.5 1 6 0 79 373.478 7 ↓
Lo Low (pH 4.5-6) 1.22 5.95 -51.1 2 6 1 81 374.486 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-cyclopropyl-4-ethoxy-5-methoxy-N-(2-pyridylmethyl)benzamide 3-chloro-N-cyclopropyl-4-ethoxy-…

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) 2.32 8.98 -10.39 0 5 0 52 360.841 7 ↓
Lo Low (pH 4.5-6) 2.32 9.12 -42.73 1 5 1 53 361.849 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(tert-butylsulfamoyl)-N-cyclopropyl-N-(2-pyridylmethyl)benzamide 4-(tert-butylsulfamoyl)-N-cyclop…

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) 1.75 6.49 -17.14 1 6 0 79 387.505 7 ↓
Lo Low (pH 4.5-6) 1.75 7.13 -45.36 2 6 1 81 388.513 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-cyclopropyl-4-isopropoxy-5-methoxy-N-(2-pyridylmethyl)benzamide 3-chloro-N-cyclopropyl-4-isoprop…

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) 2.69 9.78 -10.25 0 5 0 52 374.868 7 ↓
Lo Low (pH 4.5-6) 2.69 9.62 -42.77 1 5 1 53 375.876 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-cyclopropyl-3-methylsulfonyl-N-(2-pyridylmethyl)benzamide 4-chloro-N-cyclopropyl-3-methyls…

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) 1.41 6.12 -15.48 0 5 0 67 364.854 5 ↓
Lo Low (pH 4.5-6) 1.41 6.22 -51.82 1 5 1 69 365.862 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-(ethylsulfamoyl)-N-(2-pyridylmethyl)benzamide N-cyclopropyl-4-(ethylsulfamoyl)…

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) 0.94 5.2 -15.12 1 6 0 79 359.451 7 ↓
Lo Low (pH 4.5-6) 0.94 5.3 -49.88 2 6 1 81 360.459 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(allylsulfamoyl)-N-cyclopropyl-N-(2-pyridylmethyl)benzamide 4-(allylsulfamoyl)-N-cyclopropyl…

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) 1.21 5.76 -14.87 1 6 0 79 371.462 8 ↓
Lo Low (pH 4.5-6) 1.21 5.85 -49.82 2 6 1 81 372.47 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-cyanoethylsulfamoyl)-N-cyclopropyl-N-(2-pyridylmethyl)benzamide 4-(2-cyanoethylsulfamoyl)-N-cycl…

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) 0.02 5.33 -20.34 1 7 0 103 384.461 8 ↓
Lo Low (pH 4.5-6) 0.02 5.68 -53.37 2 7 1 104 385.469 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-pyridylmethyl)benzamide N-cyclopropyl-3-(dimethylsulfamo…

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 7.37 -18.71 0 6 0 71 387.505 6 ↓
Lo Low (pH 4.5-6) 1.56 7.62 -51.35 1 6 1 72 388.513 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.39 8.39 -12.77 1 6 0 72 367.449 7 ↓
Lo Low (pH 4.5-6) 2.39 8.4 -48 2 6 1 73 368.457 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 2.37 8.41 -16.5 1 6 0 72 367.449 7 ↓
Lo Low (pH 4.5-6) 2.37 8.36 -49.32 2 6 1 73 368.457 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-N-cyclopropyl-4-methoxy-N-(2-pyridylmethyl)benzamide 3,5-dichloro-N-cyclopropyl-4-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) 2.77 8.69 -8.79 0 4 0 42 351.233 5 ↓
Lo Low (pH 4.5-6) 2.77 8.82 -42.55 1 4 1 44 352.241 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-cyclopropyl-3,5-dimethoxy-N-(2-pyridylmethyl)benzamide 4-bromo-N-cyclopropyl-3,5-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) 2.28 7.75 -10.43 0 5 0 52 391.265 6 ↓
Lo Low (pH 4.5-6) 2.28 7.3 -46.28 1 5 1 53 392.273 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-cyclopropyl-4-fluoro-N-(2-pyridylmethyl)benzamide 2-amino-N-cyclopropyl-4-fluoro-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) 1.07 5.86 -7.06 2 4 0 59 285.322 4 ↓
Lo Low (pH 4.5-6) 1.07 6.63 -35.95 3 4 1 60 286.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3-fluoro-4-nitro-N-[(1S)-1-(2-pyridyl)ethyl]benzamide N-cyclopropyl-3-fluoro-4-nitro-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) 2.11 9.79 -13.2 0 6 0 79 329.331 5 ↓
Lo Low (pH 4.5-6) 2.11 9.32 -41.5 1 6 1 80 330.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3-fluoro-4-nitro-N-[(1R)-1-(2-pyridyl)ethyl]benzamide N-cyclopropyl-3-fluoro-4-nitro-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) 2.11 9.7 -11.81 0 6 0 79 329.331 5 ↓
Lo Low (pH 4.5-6) 2.11 9.75 -47.44 1 6 1 80 330.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-(difluoromethylsulfanyl)-N-(2-pyridylmethyl)benzamide N-cyclopropyl-4-(difluoromethyls…

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) 2.49 9.12 -10.11 0 3 0 33 334.391 6 ↓
Lo Low (pH 4.5-6) 2.49 9.46 -41.97 1 3 1 34 335.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-propyl-N-(2-pyridylmethyl)benzamide N-cyclopropyl-4-propyl-N-(2-pyri…

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 10.41 -9.57 0 3 0 33 294.398 6 ↓
Lo Low (pH 4.5-6) 2.80 10.51 -41.29 1 3 1 34 295.406 6 ↓

Analogs

40465399
40465399
61510804
61510804

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(chloromethyl)-N-cyclopropyl-N-(2-pyridylmethyl)benzamide 4-(chloromethyl)-N-cyclopropyl-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) 2.07 9.11 -9.76 0 3 0 33 300.789 5 ↓
Lo Low (pH 4.5-6) 2.07 9.45 -40.73 1 3 1 34 301.797 5 ↓

Analogs

61510804
61510804
36777715
36777715

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-N-cyclopropyl-N-(2-pyridylmethyl)benzamide 3-(chloromethyl)-N-cyclopropyl-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) 2.05 9.1 -10.36 0 3 0 33 300.789 5 ↓
Lo Low (pH 4.5-6) 2.05 9.44 -41.28 1 3 1 34 301.797 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(methylamino)-N-(2-pyridylmethyl)benzamide N-cyclopropyl-2-(methylamino)-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) 1.31 7.2 -9.8 1 4 0 45 281.359 5 ↓
Lo Low (pH 4.5-6) 1.31 7.42 -37.41 2 4 1 46 282.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4,5-difluoro-2-nitro-N-[(1S)-1-(2-pyridyl)ethyl]benzamide N-cyclopropyl-4,5-difluoro-2-nit…

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 10.63 -12.12 0 6 0 79 347.321 5 ↓
Lo Low (pH 4.5-6) 2.20 10.58 -38.06 1 6 1 80 348.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4,5-difluoro-2-nitro-N-[(1R)-1-(2-pyridyl)ethyl]benzamide N-cyclopropyl-4,5-difluoro-2-nit…

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 10.5 -10.56 0 6 0 79 347.321 5 ↓
Lo Low (pH 4.5-6) 2.20 10.43 -42.51 1 6 1 80 348.329 5 ↓

Parameters Provided:

ring.id = 173974
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 = 173974 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=173974&filter.purchasability=annotated

Embed Link to Results