UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4(3H)-imine 3-[4-(trifluoromethyl)phenyl]-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) -0.07 7.3 -31.1 2 4 1 56 291.256 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: butoxy-dimethyl-morpholino-BLAH butoxy-dimethyl-morpholino-BLAH

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) 4.13 4.55 -6.11 0 8 0 83 429.546 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: morpholino-N,N-dipropyl-BLAHamine morpholino-N,N-dipropyl-BLAHamine

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) 4.95 8.49 -7.5 0 7 0 67 426.59 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-K00804671-001-01-6 BRD-K00804671-001-01-6

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) 2.42 1.37 -40.32 0 8 -1 96 372.43 1 ↓
Mid Mid (pH 6-8) 1.96 2.19 -10.06 1 8 0 93 373.438 1 ↓
Lo Low (pH 4.5-6) 1.96 2.6 -33.25 2 8 1 94 374.446 1 ↓

Analogs

5888092
5888092

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,5R)-2-(4-aminoimidazo[4,5-e]triazin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol (2S,3S,5R)-2-(4-aminoimidazo[4,5…

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) -1.04 -4.26 -14.67 4 9 0 132 252.234 2 ↓
Mid Mid (pH 6-8) -1.04 -3.79 -45.21 5 9 1 133 253.242 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7H-imidazo[4,5-e]triazin-4-amine 7H-imidazo[4,5-e]triazin-4-amine

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 -0.02 -11.84 3 6 0 93 136.118 0 ↓
Hi High (pH 8-9.5) 0.09 -0.52 -34.54 2 6 -1 92 135.11 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-2-phenyl-1-(trichloromethyl)vinyl]triazine 4-[(E)-2-phenyl-1-(trichlorometh…

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) 4.24 7.18 -7.25 0 3 0 39 300.576 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-allyl-N4-ethyl-6-methyl-1H-triazine-2,4-diamine N2-allyl-N4-ethyl-6-methyl-1H-tr…

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 3 -8.26 3 5 0 58 195.27 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-allyl-1H-triazine-2,6-diamine N2-allyl-1H-triazine-2,6-diamine

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) 0.20 0.36 -6.35 4 5 0 72 153.189 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2,N2-diallyl-6-butyl-1H-triazine-2,4-diamine N2,N2-diallyl-6-butyl-1H-triazin…

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) 2.94 5.68 -5.53 3 5 0 63 249.362 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2,N2-diallyl-6-methyl-1H-triazine-2,4-diamine N2,N2-diallyl-6-methyl-1H-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) 1.31 3.39 -6.24 3 5 0 63 207.281 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2,N2-diallyl-6-isopropyl-1H-triazine-2,4-diamine N2,N2-diallyl-6-isopropyl-1H-tri…

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) 2.36 4.73 -5.32 3 5 0 63 235.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4,6-dichloro-1H-triazin-2-yl)-ethyl-amino] [(4,6-dichloro-1H-triazin-2-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) 3.20 6.07 -7.94 1 6 0 63 279.127 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-benzyloxy-2-fluoro-1H-triazine 6-benzyloxy-2-fluoro-1H-triazine

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) 2.03 3.91 -7.67 1 4 0 43 207.208 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-difluoro-1H-triazin-4-yl)hydrazine (2,6-difluoro-1H-triazin-4-yl)hy…

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 -0.46 -14.12 4 5 0 75 149.104 1 ↓
Hi High (pH 8-9.5) -0.10 -0.27 -32.38 3 5 -1 74 148.096 1 ↓
Mid Mid (pH 6-8) -0.10 -0.14 -7.63 4 5 0 72 149.104 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-6-methyl-1H-triazine 2,4-difluoro-6-methyl-1H-triazine

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) 0.76 1.76 -7.65 1 3 0 34 133.101 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-4-phenyl-1H-triazine 2,6-difluoro-4-phenyl-1H-triazine

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) 2.21 4.77 -6.04 1 3 0 34 195.172 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-1H-triazin-6-amine 2-fluoro-1H-triazin-6-amine

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) -0.14 -0.05 -8.58 3 4 0 60 116.099 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6-thioxo-1H-triazin-5-yl)benzenesulfonic 4-(6-thioxo-1H-triazin-5-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) -0.68 0.48 -89.51 0 6 -2 96 267.291 2 ↓
Lo Low (pH 4.5-6) -1.41 0.66 -50.94 1 6 -1 99 268.299 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N,N-dimethyl-1H-triazin-6-amine 2-fluoro-N,N-dimethyl-1H-triazin…

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) 0.48 2.64 -8.28 1 4 0 37 144.153 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-phenyl-1H-triazine 2-fluoro-6-phenyl-1H-triazine

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) 1.92 4.69 -8.53 1 3 0 34 177.182 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-fluoro-1H-triazin-6-amine N-benzyl-2-fluoro-1H-triazin-6-a…

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 4.81 -7.7 2 4 0 46 206.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-phenyl-2H-triazine-5-thione 4-chloro-6-phenyl-2H-triazine-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) 2.72 4.65 -31.62 0 3 -1 39 222.68 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-fluoro-1H-triazin-6-yl)hydrazine (2-fluoro-1H-triazin-6-yl)hydrazine

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 -0.24 -8.73 4 5 0 72 131.114 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-phenyl-1H-triazin-6-amine 2-fluoro-N-phenyl-1H-triazin-6-a…

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 4.74 -8.13 2 4 0 46 192.197 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-methyl-1H-triazin-6-amine 2-fluoro-N-methyl-1H-triazin-6-a…

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 1 -8.21 2 4 0 46 130.126 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-methoxy-1H-triazine 2-fluoro-6-methoxy-1H-triazine

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) 0.43 -0.08 -7.18 1 4 0 43 131.11 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-phenoxytriazine-4-sulfonic 5-phenoxytriazine-4-sulfonic

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) -0.95 -0.25 -46.28 0 7 -1 105 252.231 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-phenoxy-1H-triazine 2-fluoro-6-phenoxy-1H-triazine

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) 2.13 3.3 -7.46 1 4 0 43 193.181 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyloxy-2,6-difluoro-1H-triazine 4-benzyloxy-2,6-difluoro-1H-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) 2.31 3.34 -4.82 1 4 0 43 225.198 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-methyl-1H-triazine 2-fluoro-6-methyl-1H-triazine

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 1.82 -8.32 1 3 0 34 115.111 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-fluoro-1H-triazin-6-amine N,N-diethyl-2-fluoro-1H-triazin-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 4.54 -7.69 1 4 0 37 172.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-fluoro-1H-triazin-6-amine N-butyl-2-fluoro-1H-triazin-6-amine

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) 1.67 3.35 -7.41 2 4 0 46 172.207 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dichloro-6-(2-ethoxyethoxy)triazine 4,5-dichloro-6-(2-ethoxyethoxy)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) 1.94 0.74 -3.78 0 5 0 57 238.074 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-benzotriazine-4-thiol 1,2,3-benzotriazine-4-thiol

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) 1.91 2.9 -44 0 3 -1 39 162.197 0 ↓
Lo Low (pH 4.5-6) 1.19 3.03 -29.45 1 3 0 42 163.205 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-[methyl-[(4-oxo-3H-1,2,3-benzotriazin-6-yl)methyl]amino]benzoyl]amino]pentanedioic (2S)-2-[[4-[methyl-[(4-oxo-3H-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) -0.47 5.03 -191.03 1 11 -3 174 436.404 9 ↓
Mid Mid (pH 6-8) -0.92 6.17 -140.29 2 11 -2 171 437.412 9 ↓

Analogs

14754
14754

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-(4-aminoimidazo[4,5-d]triazin-7-yl)tetrahydrofuran-2-yl]methanol [(2R,5R)-5-(4-aminoimidazo[4,5-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.12 -0.86 -11.08 3 8 0 112 236.235 2 ↓

Analogs

14754
14754

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-5-(4-aminoimidazo[4,5-d]triazin-7-yl)tetrahydrofuran-2-yl]methanol [(2S,5S)-5-(4-aminoimidazo[4,5-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.12 -0.92 -11.08 3 8 0 112 236.235 2 ↓

Analogs

42853996
42853996

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S,6R,8R,9R)-3-hydroxy-3-oxo-8-BLAHyl-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol (1S,3S,6R,8R,9R)-3-hydroxy-3-oxo…

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 0.91 -54.91 1 12 -1 149 353.211 1 ↓

Parameters Provided:

ring.id = 9064
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 = 9064 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=9064&filter.purchasability=annotated

Embed Link to Results