UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 5-amino-2-chloro-N-[(4-methyl-1,…

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) -0.16 4.07 -15.33 3 6 0 86 265.704 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 2-amino-4-chloro-N-[(4-methyl-1,…

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) 0.25 4.4 -12.3 3 6 0 86 265.704 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 4-amino-2-chloro-N-[(4-methyl-1,…

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) -0.16 4.07 -15.85 3 6 0 86 265.704 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 2-amino-5-chloro-N-[(4-methyl-1,…

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) 0.25 4.4 -12.09 3 6 0 86 265.704 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 3-amino-4-methoxy-N-[(4-methyl-1…

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) -0.38 2.98 -14.93 3 7 0 95 261.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 3-amino-2-methyl-N-[(4-methyl-1,…

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) -0.01 4.34 -13.63 3 6 0 86 245.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 2-amino-3-methyl-N-[(4-methyl-1,…

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) -0.01 4.66 -12.89 3 6 0 86 245.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,5-dimethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 2-amino-4,5-dimethoxy-N-[(4-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) -0.79 3.12 -15.33 3 8 0 104 291.311 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 2-amino-6-methyl-N-[(4-methyl-1,…

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) -0.01 3.95 -13.77 3 6 0 86 245.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 3-amino-4-fluoro-N-[(4-methyl-1,…

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) -0.27 3.64 -13.9 3 6 0 86 249.249 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 5-amino-2-fluoro-N-[(4-methyl-1,…

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 3.63 -17.34 3 6 0 86 249.249 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 3-amino-5-fluoro-4-methyl-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) 0.11 4.35 -13.67 3 6 0 86 263.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 2-amino-5-methoxy-N-[(4-methyl-1…

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) -0.38 3.18 -13.41 3 7 0 95 261.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 3-amino-4-bromo-N-[(4-methyl-1,2…

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) 0.38 4.25 -13.37 3 6 0 86 310.155 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 5-amino-2-methoxy-N-[(4-methyl-1…

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) -0.23 4.1 -16.98 3 7 0 95 261.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-diamino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 2,4-diamino-N-[(4-methyl-1,2,4-t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.36 1.76 -13.84 5 7 0 112 246.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-diamino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 3,5-diamino-N-[(4-methyl-1,2,4-t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.76 1.42 -14.92 5 7 0 112 246.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4,5-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 3-amino-4,5-dichloro-N-[(4-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) 0.85 4.59 -12.75 3 6 0 86 300.149 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-(dimethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 3-amino-4-(dimethylamino)-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) -0.33 4.85 -13.69 3 7 0 89 274.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(dimethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 5-amino-2-(dimethylamino)-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) -0.74 5.18 -13.92 3 7 0 89 274.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 3-amino-4-ethoxy-N-[(4-methyl-1,…

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) 0.00 3.9 -14.68 3 7 0 95 275.312 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2,4-difluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 5-amino-2,4-difluoro-N-[(4-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) -0.18 3.71 -15.97 3 6 0 86 267.239 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)benzamid N-[[5-(2-dimethylaminoethylsulfa…

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) 1.95 1.91 -49.53 2 6 1 64 388.439 8 ↓

Analogs

12019896
12019896
39749676
39749676
39752946
39752946
39752948
39752948
39754160
39754160

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2,4-dimethoxy-benzamide N-[(1R)-1-(5-ethylsulfanyl-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) 2.60 0.68 -13 1 7 0 78 350.444 7 ↓

Analogs

39749676
39749676
39752946
39752946
39752948
39752948
39754160
39754160
12019893
12019893

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2,4-dimethoxy-benzamide N-[(1S)-1-(5-ethylsulfanyl-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) 2.60 0.7 -12.93 1 7 0 78 350.444 7 ↓

Analogs

12026257
12026257

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methoxy-benzamide N-[(1R)-1-(5-ethylsulfanyl-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) 2.57 0.64 -12.75 1 6 0 69 320.418 6 ↓

Analogs

12026250
12026250

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methoxy-benzamide N-[(1S)-1-(5-ethylsulfanyl-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) 2.57 0.64 -12.75 1 6 0 69 320.418 6 ↓

Analogs

12031514
12031514

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethoxy-benzamide N-[(1R)-1-(5-ethylsulfanyl-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) 2.60 0.67 -13.39 1 7 0 78 350.444 7 ↓

Analogs

12031508
12031508

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethoxy-benzamide N-[(1S)-1-(5-ethylsulfanyl-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) 2.60 0.66 -13.37 1 7 0 78 350.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide N-[[5-(2-dimethylaminoethylsulfa…

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 -0.05 -47 2 8 1 83 380.494 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 3-(2-aminoethyl)-N-[(4-methyl-1,…

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) -0.88 4.48 -55.88 4 6 1 87 260.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide 3-(2-aminoethyl)-N-[(1S)-1-(4-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) -0.32 5.16 -54.4 4 6 1 87 274.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide 3-(2-aminoethyl)-N-[(1R)-1-(4-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) -0.32 5.16 -54.66 4 6 1 87 274.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-nitro-benzamide 3-amino-N-[(4-methyl-1,2,4-triaz…

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) -0.47 4.46 -15.8 3 9 0 132 276.256 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(methylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-nitro-benzamide 3-(methylamino)-N-[(4-methyl-1,2…

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) -0.10 5.41 -15.84 2 9 0 118 290.283 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-nitro-benzamide 3-amino-N-[(1S)-1-(4-methyl-1,2,…

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) 0.09 5.13 -13.48 3 9 0 132 290.283 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-nitro-benzamide 3-amino-N-[(1R)-1-(4-methyl-1,2,…

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) 0.09 5.14 -13.5 3 9 0 132 290.283 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydrazino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-nitro-benzamide 3-hydrazino-N-[(4-methyl-1,2,4-t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.71 4.17 -16.26 4 10 0 144 291.271 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-nitro-benzamide 3-fluoro-N-[(1S)-1-(4-methyl-1,2…

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) 0.77 7.09 -15.09 1 8 0 106 293.258 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-nitro-benzamide 3-fluoro-N-[(1R)-1-(4-methyl-1,2…

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) 0.77 7.09 -15.16 1 8 0 106 293.258 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-nitro-benzamide 3-fluoro-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) 0.21 6.41 -18.28 1 8 0 106 279.231 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-tert-butyl-N1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]terephthalamide N4-tert-butyl-N1-[(1S)-1-(4-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) 1.09 6.79 -15.58 2 7 0 89 329.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-tert-butyl-N1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]terephthalamide N4-tert-butyl-N1-[(1R)-1-(4-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) 1.09 6.79 -15.64 2 7 0 89 329.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[methyl(propyl)amino]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 4-[methyl(propyl)amino]-N-[(4-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) 1.14 7.79 -14.35 1 6 0 63 287.367 6 ↓

Analogs

39759864
39759864
39759865
39759865

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-3-methylsulfanyl-propyl]-4-methoxy-benzamide N-[1-(4-Ethyl-5-mercapto-4H-[1,2…

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) 2.28 8.4 -52.08 1 6 -1 69 365.504 8 ↓
Mid Mid (pH 6-8) 1.56 8.31 -16.51 2 6 0 72 366.512 8 ↓

Analogs

39759864
39759864
39759865
39759865

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-3-methylsulfanyl-propyl]-4-methoxy-benzamide N-[1-(4-Ethyl-5-mercapto-4H-[1,2…

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) 2.28 8.39 -51.62 1 6 -1 69 365.504 8 ↓
Mid Mid (pH 6-8) 1.56 8.37 -16.6 2 6 0 72 366.512 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(isopropylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 2-(isopropylamino)-N-[(4-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) 1.31 6.4 -12.71 2 6 0 72 273.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(isopropylamino)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide 2-(isopropylamino)-N-[(1S)-1-(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) 1.86 7.06 -11.17 2 6 0 72 287.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(isopropylamino)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide 2-(isopropylamino)-N-[(1R)-1-(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) 1.86 7.08 -11.19 2 6 0 72 287.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide 2-amino-4-fluoro-N-[(4-methyl-1,…

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) -0.27 3.95 -12.63 3 6 0 86 249.249 3 ↓

Parameters Provided:

ring.id = 17204
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 = 17204 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=17204&filter.purchasability=annotated

Embed Link to Results