UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 1.62 7.4 -48.42 1 6 1 70 279.316 8 ↓
Hi High (pH 8-9.5) 1.62 5.08 -13 0 6 0 69 278.308 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[5-(2-furyl)isoxazol-3-yl]methyl]ethanamine N-ethyl-N-[[5-(2-furyl)isoxazol-…

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 6.77 -36.58 1 4 1 44 221.28 5 ↓
Hi High (pH 8-9.5) 2.28 4.28 -6.93 0 4 0 42 220.272 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-cyano-1-methyl-ethyl)-5-(2-furyl)isoxazole-3-carboxamide N-(1-cyano-1-methyl-ethyl)-5-(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) 1.51 3.29 -7.44 1 6 0 92 245.238 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-(2-furyl)isoxazole-3-carbonyl]amino]-2-methyl-pentanoic (2S)-2-[[5-(2-furyl)isoxazole-3-…

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) 0.05 5.6 -53.77 1 7 -1 108 291.283 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[5-(2-furyl)isoxazole-3-carbonyl]amino]-2-methyl-pentanoic (2R)-2-[[5-(2-furyl)isoxazole-3-…

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) 0.05 5.6 -53.73 1 7 -1 108 291.283 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(2-furyl)isoxazol-3-yl]methyl]-N-methyl-ethane-1,2-diamine N-[[5-(2-furyl)isoxazol-3-yl]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) 0.33 0.89 -49.05 3 5 1 70 222.268 5 ↓
Lo Low (pH 4.5-6) 0.33 3.22 -122.45 4 5 2 71 223.276 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(2-furyl)isoxazol-3-yl]methylsulfanyl]propanoic 3-[[5-(2-furyl)isoxazol-3-yl]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) 1.73 6.79 -46.1 0 5 -1 79 252.271 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[5-(2-furyl)isoxazole-3-carbonyl]amino]hexanoic 6-[[5-(2-furyl)isoxazole-3-carbo…

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) 1.71 5.4 -49.83 1 7 -1 108 291.283 8 ↓
Lo Low (pH 4.5-6) 1.71 3.42 -12.37 2 7 0 106 292.291 8 ↓

Analogs

44613314
44613314
44613317
44613317

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-(2-furyl)isoxazole-3-carbonyl]amino]-3-methyl-butanoic (2S)-2-[[5-(2-furyl)isoxazole-3-…

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) -0.19 4.61 -52.48 1 7 -1 108 277.256 5 ↓

Analogs

44613314
44613314
44613317
44613317

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[5-(2-furyl)isoxazole-3-carbonyl]amino]-3-methyl-butanoic (2R)-2-[[5-(2-furyl)isoxazole-3-…

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) -0.19 4.8 -52.97 1 7 -1 108 277.256 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(2-furyl)isoxazole-3-carbonyl]amino]butanoic 4-[[5-(2-furyl)isoxazole-3-carbo…

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) 0.70 3.83 -47.42 1 7 -1 108 263.229 6 ↓

Analogs

37564784
37564784
37860454
37860454
37860815
37860815
37993645
37993645
35175983
35175983

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-furyl)isoxazole-3-carbonyl]-methyl-amino]acetic 2-[[5-(2-furyl)isoxazole-3-carbo…

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) -0.51 5.06 -51.37 0 7 -1 100 249.202 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-furyl)isoxazole-3-carbonyl]amino]oxyacetic 2-[[5-(2-furyl)isoxazole-3-carbo…

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 3.91 -50.31 1 8 -1 118 251.174 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-formamido-3-[[5-(2-furyl)isoxazol-3-yl]methylsulfanyl]propanoic (2R)-2-formamido-3-[[5-(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) -0.84 4.83 -54.73 1 7 -1 108 295.296 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-formamido-3-[[5-(2-furyl)isoxazol-3-yl]methylsulfanyl]propanoic (2S)-2-formamido-3-[[5-(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) -0.84 4.7 -54.18 1 7 -1 108 295.296 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) 0.94 3.92 -10.29 2 6 0 92 282.321 7 ↓
Lo Low (pH 4.5-6) 0.94 4.26 -47.23 3 6 1 93 283.329 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) 0.94 3.94 -10.81 2 6 0 92 282.321 7 ↓
Lo Low (pH 4.5-6) 0.94 4.27 -45.57 3 6 1 93 283.329 7 ↓

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) 1.32 4.84 -10.31 2 6 0 92 296.348 8 ↓
Mid Mid (pH 6-8) 1.32 5.19 -46.97 3 6 1 93 297.356 8 ↓

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) 1.32 4.9 -10.57 2 6 0 92 296.348 8 ↓
Mid Mid (pH 6-8) 1.32 5.19 -45.33 3 6 1 93 297.356 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[5-(2-furyl)isoxazol-3-yl]methyl]-4-methoxy-4-methyl-pentan-2-amine (2S)-N-[[5-(2-furyl)isoxazol-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) 2.67 6 -37.03 2 5 1 65 279.36 7 ↓
Hi High (pH 8-9.5) 2.67 4.55 -6.87 1 5 0 60 278.352 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[5-(2-furyl)isoxazol-3-yl]methyl]-4-methoxy-4-methyl-pentan-2-amine (2R)-N-[[5-(2-furyl)isoxazol-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) 2.67 6.01 -36.9 2 5 1 65 279.36 7 ↓
Hi High (pH 8-9.5) 2.67 5.07 -7.2 1 5 0 60 278.352 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-furyl)-N-[2-(2-hydroxyethoxy)ethyl]isoxazole-3-carboxamide 5-(2-furyl)-N-[2-(2-hydroxyethox…

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) 0.17 -0.69 -11.28 2 7 0 98 266.253 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 5.43 -9.96 1 8 0 98 349.387 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 5.43 -10.27 1 8 0 98 349.387 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-furyl)-N-(2-hydroxy-2-methyl-propyl)isoxazole-3-carboxamide 5-(2-furyl)-N-(2-hydroxy-2-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) 1.09 0.63 -8.88 2 6 0 88 250.254 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-furyl)-N-methyl-isoxazole-3-carboxamide 5-(2-furyl)-N-methyl-isoxazole-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.92 1.54 -8.17 1 5 0 68 192.174 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[5-(2-furyl)isoxazole-3-carbonyl]amino]pentanoic 5-[[5-(2-furyl)isoxazole-3-carbo…

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 4.62 -49.7 1 7 -1 108 277.256 7 ↓
Lo Low (pH 4.5-6) 1.21 2.64 -13.07 2 7 0 106 278.264 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[[5-(2-furyl)isoxazol-3-yl]methyl]-N,N'-dimethyl-ethane-1,2-diamine N'-[[5-(2-furyl)isoxazol-3-yl]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) 1.31 2.77 -44.37 2 5 1 59 236.295 6 ↓
Hi High (pH 8-9.5) 1.31 1.32 -7.74 1 5 0 54 235.287 6 ↓
Lo Low (pH 4.5-6) 1.31 5.08 -118.22 3 5 2 60 237.303 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[[5-(2-furyl)isoxazole-3-carbonyl]amino]pentanoic (4S)-4-[[5-(2-furyl)isoxazole-3-…

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) 1.03 4.85 -47.97 1 7 -1 108 277.256 6 ↓
Lo Low (pH 4.5-6) 1.03 2.87 -10.78 2 7 0 106 278.264 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[[5-(2-furyl)isoxazole-3-carbonyl]amino]pentanoic (4R)-4-[[5-(2-furyl)isoxazole-3-…

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) 1.03 4.85 -47.99 1 7 -1 108 277.256 6 ↓
Lo Low (pH 4.5-6) 1.03 2.87 -10.78 2 7 0 106 278.264 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-ethylsulfanyl-N-[[5-(2-furyl)isoxazol-3-yl]methyl]propan-2-amine (2R)-1-ethylsulfanyl-N-[[5-(2-fu…

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 6.73 -39.08 2 4 1 56 267.374 7 ↓
Hi High (pH 8-9.5) 2.51 5.67 -7.25 1 4 0 51 266.366 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-ethylsulfanyl-N-[[5-(2-furyl)isoxazol-3-yl]methyl]propan-2-amine (2S)-1-ethylsulfanyl-N-[[5-(2-fu…

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 6.73 -40.67 2 4 1 56 267.374 7 ↓
Hi High (pH 8-9.5) 2.51 5.52 -7.69 1 4 0 51 266.366 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) 1.01 3.93 -11.44 1 7 0 95 278.264 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-(2-furyl)isoxazole-3-carbonyl]amino]-3-methyl-urea 1-[[5-(2-furyl)isoxazole-3-carbo…

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 -0.1 -11.29 3 8 0 109 250.214 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-5-(2-furyl)isoxazole-3-carboxamide N-[(1R)-2-(ethylamino)-1-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) 0.73 1.72 -11.31 2 7 0 97 277.28 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-5-(2-furyl)isoxazole-3-carboxamide N-[(1S)-2-(ethylamino)-1-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) 0.73 1.72 -11.31 2 7 0 97 277.28 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-cyanopropyl]-N-ethyl-5-(2-furyl)isoxazole-3-carboxamide N-[(2R)-2-cyanopropyl]-N-ethyl-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) 2.07 6.84 -10.53 0 6 0 83 273.292 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-cyanopropyl]-N-ethyl-5-(2-furyl)isoxazole-3-carboxamide N-[(2S)-2-cyanopropyl]-N-ethyl-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) 2.07 6.79 -11.04 0 6 0 83 273.292 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-furyl)-N-(3-methylsulfonylpropyl)isoxazole-3-carboxamide 5-(2-furyl)-N-(3-methylsulfonylp…

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) 0.59 0.7 -18.41 1 7 0 102 298.32 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-5-(2-furyl)-N-propyl-isoxazole-3-carboxamide N-(cyanomethyl)-5-(2-furyl)-N-pr…

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 6.23 -12.47 0 6 0 83 259.265 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-(2-furyl)isoxazole-3-carbonyl]amino]-3-propyl-urea 1-[[5-(2-furyl)isoxazole-3-carbo…

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) 1.20 1.51 -10.42 3 8 0 109 278.268 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[[5-(2-furyl)isoxazol-3-yl]methoxy]-4-methyl-pentanamidine N'-[[5-(2-furyl)isoxazol-3-yl]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) 2.91 6.3 -9.34 2 6 0 87 277.324 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-butoxyethyl)-5-(2-furyl)isoxazole-3-carboxamide N-(2-butoxyethyl)-5-(2-furyl)iso…

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 4.01 -8.4 1 6 0 78 278.308 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-furyl)-N-isopropylsulfonyl-isoxazole-3-carboxamide 5-(2-furyl)-N-isopropylsulfonyl-…

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) 1.10 0.2 -58 0 7 -1 109 283.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-cyanopropyl]-5-(2-furyl)-N-methyl-isoxazole-3-carboxamide N-[(2S)-2-cyanopropyl]-5-(2-fury…

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 5.73 -11.13 0 6 0 83 259.265 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-cyanopropyl]-5-(2-furyl)-N-methyl-isoxazole-3-carboxamide N-[(2R)-2-cyanopropyl]-5-(2-fury…

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 5.74 -10.74 0 6 0 83 259.265 4 ↓

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) 1.48 5.75 -50.29 2 6 1 82 265.289 8 ↓
Hi High (pH 8-9.5) 1.48 4.38 -9.51 1 6 0 78 264.281 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-ethyl-5-(2-furyl)isoxazole-3-carboxamide N-(cyanomethyl)-N-ethyl-5-(2-fur…

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) 1.32 5.48 -12.43 0 6 0 83 245.238 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(2-furyl)isoxazol-3-yl]methyl-isopropyl-amino]butanoic 4-[[5-(2-furyl)isoxazol-3-yl]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) 1.99 7.87 -57.34 1 6 0 84 292.335 8 ↓
Hi High (pH 8-9.5) 1.99 6.15 -51.38 0 6 -1 83 291.327 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[tert-butyl-[[5-(2-furyl)isoxazol-3-yl]methyl]amino]propanoic 3-[tert-butyl-[[5-(2-furyl)isoxa…

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) 2.23 8.14 -43.25 1 6 0 84 292.335 7 ↓

Parameters Provided:

ring.id = 10047
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 = 10047 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=10047&filter.purchasability=annotated

Embed Link to Results