UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-oxopyrrolidin-1-yl)phenyl] [4-(2-oxopyrrolidin-1-yl)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) 2.48 9.92 -19.94 0 6 0 73 336.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 4.55 10.29 -18.17 1 8 0 100 466.515 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]-3-oxo-propyl]-6,7-dimethoxy-quinazolin-4-one 3-[3-[4-(6-fluoro-1,2-benzoxazol…

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) 2.46 10.66 -22.3 0 9 0 100 480.496 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-yl] [3-(3,4,5-trifluorophenyl)-1,2-b…

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) 4.51 9.9 -10.51 0 5 0 65 359.259 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,2-benzoxazol-3-yloxy)propan-1-amine 3-(1,2-benzoxazol-3-yloxy)propan…

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) 0.98 1.01 -48.78 3 4 1 63 193.226 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5,7-dichloro-1,2-benzoxazol-3-yl)oxy]ethanamine 2-[(5,7-dichloro-1,2-benzoxazol-…

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) 1.97 1.31 -48.29 3 4 1 63 248.089 3 ↓
Hi High (pH 8-9.5) 1.97 0.92 -4.53 2 4 0 61 247.081 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-fluoro-1,2-benzoxazol-3-yl)sulfanyl]ethanamine 2-[(5-fluoro-1,2-benzoxazol-3-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) 0.42 3.26 -49.61 3 3 1 54 213.257 3 ↓
Hi High (pH 8-9.5) 0.42 2.87 -6.05 2 3 0 52 212.249 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine 2-[(7-methyl-1,2-benzoxazol-3-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) 1.66 3.87 -50.46 3 3 1 54 209.294 3 ↓
Hi High (pH 8-9.5) 1.66 3.48 -8.28 2 3 0 52 208.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7-methoxy-1,2-benzoxazol-3-yl)sulfanyl]ethanamine 2-[(7-methoxy-1,2-benzoxazol-3-y…

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) 1.26 2.49 -53.61 3 4 1 63 225.293 4 ↓
Hi High (pH 8-9.5) 1.26 2.09 -11.14 2 4 0 61 224.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethylsulfanyl)-1,2-benzoxazol-7-amine 3-(2-aminoethylsulfanyl)-1,2-ben…

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) 0.69 1.07 -50.16 5 4 1 80 210.282 3 ↓
Hi High (pH 8-9.5) 0.69 0.68 -8.13 4 4 0 78 209.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7-methyl-4-methylsulfanyl-1,2-benzoxazol-3-yl)oxy]ethanamine 2-[(7-methyl-4-methylsulfanyl-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) 1.50 1.97 -45.77 3 4 1 63 239.32 4 ↓
Hi High (pH 8-9.5) 1.50 1.54 -9.63 2 4 0 61 238.312 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethoxy)-1,2-benzoxazole-5-carbonitrile 3-(2-aminoethoxy)-1,2-benzoxazol…

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) 0.44 0.68 -50.05 3 5 1 87 204.209 3 ↓
Hi High (pH 8-9.5) 0.44 0.25 -8.24 2 5 0 85 203.201 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[2-(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) 5.33 5.41 -17.75 1 4 0 55 304.293 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone 2-(1,2-benzoxazol-3-yl)-1-[4-(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) 1.82 7.52 -51.44 1 6 1 54 343.451 5 ↓
Hi High (pH 8-9.5) 1.82 5.07 -15.99 0 6 0 53 342.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-aminophenyl)methyl]-2-(1,2-benzoxazol-3-yl)acetamide N-[(3-aminophenyl)methyl]-2-(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) 1.70 4.5 -16.33 3 5 0 81 281.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(2-benzo[d]isoxazol-3-ylacetyl)aminomethyl]phenyl]furan-2-carboxamide N-[4-[(2-benzo[d]isoxazol-3-ylac…

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 -0.84 -22 2 7 0 97 375.384 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[2-(morpholine-4-carbonyl)benzofuran-3-yl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[2-(mo…

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) 2.73 6.9 -17.11 1 8 0 98 405.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(m-tolylamino)-2-oxo-ethyl] [2-(m-tolylamino)-2-oxo-ethyl]

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) 3.24 8.86 -17.65 1 6 0 81 324.336 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] [2-(4-amino-1,3-dimethyl-2,6-dio…

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 7.25 -22.11 2 10 0 139 372.337 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] [2-(4-methyl-1-piperidyl)-2-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) 2.51 9.16 -16.38 0 6 0 73 316.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (8-methyl-4-oxo-pyrido[1,2-a]pyr…

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) 3.36 9.7 -20.9 0 7 0 87 349.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl (3-butyl-2,6-dioxo-7-propyl-puri…

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) 3.14 10.65 -17.38 1 10 0 125 439.472 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(dimethylsulfamoyl)phenyl]methyl [3-(dimethylsulfamoyl)phenyl]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) 2.89 7.21 -19.97 0 7 0 90 374.418 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyanophenoxy)ethyl 2-(4-cyanophenoxy)ethyl

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) 3.35 9.34 -17.83 0 6 0 85 322.32 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl [7-(ethoxycarbonylamino)-2-oxo-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) 3.89 9.88 -25.36 1 9 0 121 422.393 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl [5-(2-thienyl)-1,3,4-oxadiazol-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) 2.81 4.2 -17.08 0 7 0 91 341.348 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-oxo-2-[[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]amino]ethyl] [2-oxo-2-[[2-(1,2,4-triazol-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) 2.64 12.34 -22.1 1 9 0 112 445.357 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl] [2-[2,5-dimethyl-1-(5-methylisox…

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) 3.04 12.86 -20.33 0 8 0 100 393.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cinnamyl cinnamyl

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) 4.36 10.51 -13.76 0 4 0 52 293.322 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl] [2-[2,5-dimethyl-1-[2-(2-thienyl…

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) 4.21 14.28 -17.27 0 6 0 74 422.506 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (6-bromo-2,3-dihydro-1,4-benzodi…

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) 3.85 8.98 -15.53 0 6 0 71 404.216 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] [2-[[3-cyano-1-(2-furylmethyl)-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) 3.05 12.02 -24.97 1 9 0 123 432.436 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-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) 0.68 6.68 -16.79 4 9 0 143 300.278 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) 4.51 10.7 -19.4 0 7 0 92 390.395 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxo-ethyl] [2-[2-(1,3-benzothiazol-2-yl)eth…

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) 3.09 8.72 -23.18 1 7 0 94 395.44 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-phenyltetrazol-5-yl)methyl (1-phenyltetrazol-5-yl)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) 2.37 8.53 -16.59 0 8 0 96 335.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)methyl (4-methyl-5-oxo-[1,2,4]triazolo[…

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 12.4 -18.64 0 9 0 105 389.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(benzyl-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino)-2-oxo-ethyl] [2-(benzyl-(4,5,6,7-tetrahydro-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) 4.75 14.78 -18.42 0 7 0 86 461.543 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl] [2-(1-ethylsulfonylindolin-5-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) 2.98 9.45 -22.52 0 8 0 107 428.466 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl [5-(dimethylsulfamoyl)-1-propyl-…

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) 3.44 9.28 -21.9 0 9 0 108 456.524 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethyl] [2-[(2,4-dimethylphenyl)methyl-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) 3.58 12.35 -17.95 0 6 0 73 366.417 7 ↓

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) 5.85 13.6 -20.94 0 7 0 92 452.466 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[5-(4-chlorophenyl)-2-furyl]methylamino]-2-oxo-ethyl] [2-[[5-(4-chlorophenyl)-2-furyl]…

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) 4.37 10.8 -17.97 1 7 0 95 424.84 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenanthridin-6-ylmethyl phenanthridin-6-ylmethyl

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) 5.48 11.61 -17.62 0 5 0 65 368.392 5 ↓
Lo Low (pH 4.5-6) 5.48 11.87 -38.12 1 5 1 66 369.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1,3-benzothiazol-2-yl-ethyl-amino)-2-oxo-ethyl] [2-(1,3-benzothiazol-2-yl-ethyl-…

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) 3.99 11.8 -23.82 0 7 0 86 395.44 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[2-[(3-chloro-2-methyl-phenyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl] [2-[[2-[(3-chloro-2-methyl-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) 3.32 8.04 -19.42 2 8 0 111 415.833 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] [2-oxo-2-[(3S)-3-phenyl-2,3-dihy…

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 13.6 -15.05 0 6 0 73 444.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] [2-oxo-2-[(3R)-3-phenyl-2,3-dihy…

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 13.6 -15.1 0 6 0 73 444.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[bis(4-methoxyphenyl)methylamino]-2-oxo-ethyl] [2-[bis(4-methoxyphenyl)methylam…

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) 4.41 11.01 -21.36 1 8 0 100 460.486 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[3-(2-methylthiazol-4-yl)phenyl]amino]-2-oxo-ethyl] [2-[[3-(2-methylthiazol-4-yl)phe…

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) 3.11 9.73 -24.25 1 7 0 94 407.451 7 ↓

Parameters Provided:

ring.id = 11756
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 = 11756 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=11756&filter.purchasability=annotated

Embed Link to Results