UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-fluorophenyl)amino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(4-fluorophenyl)amino]-6-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) 1.84 -2.46 -15.74 2 5 0 71 220.207 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-fluorophenyl)amino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(2-fluorophenyl)amino]-6-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 -2.17 -11.79 2 5 0 71 220.207 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-chloro-2-hydroxy-phenyl)amino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(5-chloro-2-hydroxy-phenyl)am…

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) 2.06 -4.91 -15.08 3 6 0 91 252.661 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-chloro-2,5-dimethoxy-phenyl)amino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(4-chloro-2,5-dimethoxy-pheny…

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 -2.87 -13.5 2 7 0 89 296.714 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-hydroxy-2-methyl-phenyl)amino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(4-hydroxy-2-methyl-phenyl)am…

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) 1.58 -4.29 -15.94 3 6 0 91 232.243 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]phenyl]acetamide N-[4-[(6-methyl-3-oxo-2H-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) 0.90 -4.18 -18.07 3 7 0 100 259.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]phenyl]acetamide N-[3-[(6-methyl-3-oxo-2H-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) 0.87 -4.17 -17.13 3 7 0 100 259.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl isopropyl

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) 2.56 -1.84 -24.3 2 7 0 97 288.307 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-chloro-2,5-dimethoxy-phenyl)amino]-2H-1,2,4-triazin-3-one 5-[(4-chloro-2,5-dimethoxy-pheny…

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 -3.2 -14.54 2 7 0 89 282.687 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-fluorophenyl)amino]-2H-1,2,4-triazin-3-one 5-[(4-fluorophenyl)amino]-2H-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) 1.21 -2.64 -16.64 2 5 0 71 206.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-fluorophenyl)amino]-2H-1,2,4-triazin-3-one 5-[(2-fluorophenyl)amino]-2H-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) 1.16 -2.46 -12.63 2 5 0 71 206.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-chloro-4-fluoro-phenyl)amino]-2H-1,2,4-triazin-3-one 5-[(3-chloro-4-fluoro-phenyl)ami…

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) 1.81 -2.88 -19.25 2 5 0 71 240.625 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(3-oxo-2H-1,2,4-triazin-5-yl)amino]phenyl]acetamide N-[4-[(3-oxo-2H-1,2,4-triazin-5-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.26 -4.5 -19.25 3 7 0 100 245.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethoxy-2-[(3-oxo-2H-1,2,4-triazin-5-yl)amino]benzoic 4,5-dimethoxy-2-[(3-oxo-2H-1,2,4…

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) 0.71 -3.06 -46.6 2 9 -1 129 291.243 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-chloro-2-hydroxy-phenyl)amino]-2H-1,2,4-triazin-3-one 5-[(5-chloro-2-hydroxy-phenyl)am…

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) 1.43 -5.25 -15.95 3 6 0 91 238.634 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-methylsulfanylphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(3-methylsulfanylphenyl)amino…

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 -3.82 -18.83 2 5 0 71 234.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3,4-diethoxyphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(3,4-diethoxyphenyl)amino]-2H…

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) 1.44 -3.11 -18.31 2 7 0 89 276.296 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl isopropyl

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) 1.93 -2.02 -24.91 2 7 0 97 274.28 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,4-Triazin-3(2H)-one, 5-[(2,4-dimethylphenyl)amino]- (9CI) 1,2,4-Triazin-3(2H)-one, 5-[(2,4…

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) 1.87 -2.38 -15.32 2 5 0 71 216.244 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(o-tolylamino)-2H-1,2,4-triazin-3-one 5-(o-tolylamino)-2H-1,2,4-triazi…

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) 1.44 -2.61 -15.12 2 5 0 71 202.217 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2,5-dimethylphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(2,5-dimethylphenyl)amino]-2H…

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) 1.87 -2.44 -15.34 2 5 0 71 216.244 2 ↓

Analogs

11991489
11991489

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3,5-dimethylphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(3,5-dimethylphenyl)amino]-2H…

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) 1.87 -2.74 -15.4 2 5 0 71 216.244 2 ↓

Analogs

11991488
11991488

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(m-tolylamino)-2H-1,2,4-triazin-3-one 5-(m-tolylamino)-2H-1,2,4-triazi…

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) 1.47 -3.13 -15.28 2 5 0 71 202.217 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-ethylphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(4-ethylphenyl)amino]-2H-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) 1.96 -2.9 -15.42 2 5 0 71 216.244 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3,4-dimethylphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(3,4-dimethylphenyl)amino]-2H…

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) 1.87 -2.84 -15.54 2 5 0 71 216.244 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-hydroxyphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(4-hydroxyphenyl)amino]-2H-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) 0.56 -5.37 -17.8 3 6 0 91 204.189 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-acetylphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(4-acetylphenyl)amino]-2H-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) 0.94 -2.89 -17.66 2 6 0 88 230.227 3 ↓

Analogs

12112613
12112613

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-isopropylphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(4-isopropylphenyl)amino]-2H-…

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) 2.56 -2.58 -15.3 2 5 0 71 230.271 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-butylphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(4-butylphenyl)amino]-2H-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) 2.91 -2.66 -15.24 2 5 0 71 244.298 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-isopropoxyphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(4-isopropoxyphenyl)amino]-2H…

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) 1.84 -3.07 -17.42 2 6 0 80 246.27 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2,4-dimethoxyphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(2,4-dimethoxyphenyl)amino]-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) 1.08 -3.09 -14.55 2 7 0 89 248.242 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3,5-dichlorophenyl)amino]-2H-1,2,4-triazin-3-one 5-[(3,5-dichlorophenyl)amino]-2H…

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 -3.68 -15.56 2 5 0 71 257.08 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-hydroxyphenyl)amino]-2H-1,2,4-triazin-3-one 5-[(3-hydroxyphenyl)amino]-2H-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) 0.54 -5.35 -16.48 3 6 0 91 204.189 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-chloro-2-methyl-phenyl)amino]-2H-1,2,4-triazin-3-one 5-[(3-chloro-2-methyl-phenyl)ami…

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 -2.91 -14.16 2 5 0 71 236.662 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-chloro-2-methyl-phenyl)amino]-2H-1,2,4-triazin-3-one 5-[(5-chloro-2-methyl-phenyl)ami…

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) 2.10 -2.91 -17.21 2 5 0 71 236.662 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isobutyl isobutyl

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 -1.88 -20.39 2 7 0 97 288.307 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: butyl 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) 2.65 -2.08 -20.42 2 7 0 97 288.307 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl isopropyl

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 -2.02 -20.92 2 7 0 97 274.28 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 1.19 -2.25 -24.76 2 7 0 97 246.226 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-chlorophenyl)amino]-2H-1,2,4-triazin-3-one 5-[(4-chlorophenyl)amino]-2H-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) 1.72 -3.53 -15.9 2 5 0 71 222.635 2 ↓

Parameters Provided:

ring.id = 66188
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 = 66188 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=66188&filter.purchasability=annotated

Embed Link to Results