UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(5-methyl-2-furyl)propan-2-amine (1R,2R)-1-(8-azaspiro[4.5]decan-…

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) 2.50 8.28 -115.76 4 3 2 45 278.44 3 ↓
Mid Mid (pH 6-8) 2.50 7.93 -31.99 3 3 1 44 277.432 3 ↓
Mid Mid (pH 6-8) 2.50 6.12 -39.52 3 3 1 44 277.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(5-methyl-2-furyl)propan-2-amine (1S,2R)-1-(8-azaspiro[4.5]decan-…

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) 2.50 8.1 -114.12 4 3 2 45 278.44 3 ↓
Mid Mid (pH 6-8) 2.50 6.41 -41.6 3 3 1 44 277.432 3 ↓
Mid Mid (pH 6-8) 2.50 7.77 -31.98 3 3 1 44 277.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(5-methyl-2-furyl)propan-2-amine (1R,2S)-1-(8-azaspiro[4.5]decan-…

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) 2.50 8.07 -114.08 4 3 2 45 278.44 3 ↓
Mid Mid (pH 6-8) 2.50 7.79 -32.33 3 3 1 44 277.432 3 ↓
Mid Mid (pH 6-8) 2.50 6.42 -35.87 3 3 1 44 277.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(5-methyl-2-furyl)propan-2-amine (1S,2S)-1-(8-azaspiro[4.5]decan-…

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) 2.50 8.22 -115.64 4 3 2 45 278.44 3 ↓
Mid Mid (pH 6-8) 2.50 7.86 -32.41 3 3 1 44 277.432 3 ↓
Mid Mid (pH 6-8) 2.50 6.21 -36.74 3 3 1 44 277.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(2-furyl)propan-2-amine (1S,2S)-1-(8-azaspiro[4.5]decan-…

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) 2.27 7.43 -115.69 4 3 2 45 264.413 3 ↓
Mid Mid (pH 6-8) 2.27 7.08 -32.26 3 3 1 44 263.405 3 ↓
Mid Mid (pH 6-8) 2.27 5.43 -39.97 3 3 1 44 263.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(2-furyl)propan-2-amine (1S,2R)-1-(8-azaspiro[4.5]decan-…

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) 2.27 7.26 -113.72 4 3 2 45 264.413 3 ↓
Mid Mid (pH 6-8) 2.27 5.51 -41.53 3 3 1 44 263.405 3 ↓
Mid Mid (pH 6-8) 2.27 6.98 -32.19 3 3 1 44 263.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(2-furyl)propan-2-amine (1R,2S)-1-(8-azaspiro[4.5]decan-…

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) 2.27 7.25 -113.66 4 3 2 45 264.413 3 ↓
Mid Mid (pH 6-8) 2.27 5.59 -36.29 3 3 1 44 263.405 3 ↓
Mid Mid (pH 6-8) 2.27 6.92 -32.04 3 3 1 44 263.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(2-furyl)propan-2-amine (1R,2R)-1-(8-azaspiro[4.5]decan-…

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) 2.27 7.45 -116.08 4 3 2 45 264.413 3 ↓
Mid Mid (pH 6-8) 2.27 7.06 -32.62 3 3 1 44 263.405 3 ↓
Mid Mid (pH 6-8) 2.27 5.28 -39.56 3 3 1 44 263.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(2-furyl)butan-2-amine (1S,2S)-1-(8-azaspiro[4.5]decan-…

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 8.24 -115.6 4 3 2 45 278.44 4 ↓
Mid Mid (pH 6-8) 2.81 6.19 -39.53 3 3 1 44 277.432 4 ↓
Mid Mid (pH 6-8) 2.81 7.83 -29.74 3 3 1 44 277.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(2-furyl)butan-2-amine (1S,2R)-1-(8-azaspiro[4.5]decan-…

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 8.05 -114.42 4 3 2 45 278.44 4 ↓
Mid Mid (pH 6-8) 2.81 7.77 -32.6 3 3 1 44 277.432 4 ↓
Mid Mid (pH 6-8) 2.81 6.33 -41.25 3 3 1 44 277.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(2-furyl)butan-2-amine (1R,2S)-1-(8-azaspiro[4.5]decan-…

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 8.06 -114.12 4 3 2 45 278.44 4 ↓
Mid Mid (pH 6-8) 2.81 6.06 -41.95 3 3 1 44 277.432 4 ↓
Mid Mid (pH 6-8) 2.81 7.55 -29.24 3 3 1 44 277.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(2-furyl)butan-2-amine (1R,2R)-1-(8-azaspiro[4.5]decan-…

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 8.24 -116.34 4 3 2 45 278.44 4 ↓
Mid Mid (pH 6-8) 2.81 7.92 -32.82 3 3 1 44 277.432 4 ↓
Mid Mid (pH 6-8) 2.81 6.15 -39.13 3 3 1 44 277.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-(2-furyl)ethanamine (2R)-2-(8-azaspiro[4.5]decan-8-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) 1.87 6.5 -117.43 4 3 2 45 250.386 3 ↓
Mid Mid (pH 6-8) 1.87 4.74 -44.49 3 3 1 44 249.378 3 ↓
Mid Mid (pH 6-8) 1.87 6.14 -32.8 3 3 1 44 249.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-(2-furyl)ethanamine (2S)-2-(8-azaspiro[4.5]decan-8-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) 1.87 6.62 -126.41 4 3 2 45 250.386 3 ↓
Mid Mid (pH 6-8) 1.87 6.15 -29.16 3 3 1 44 249.378 3 ↓
Mid Mid (pH 6-8) 1.87 4.83 -44.28 3 3 1 44 249.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-(5-methyl-2-furyl)ethanamine (2R)-2-(8-azaspiro[4.5]decan-8-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) 2.09 7.32 -117.88 4 3 2 45 264.413 3 ↓
Mid Mid (pH 6-8) 2.09 6.97 -32.64 3 3 1 44 263.405 3 ↓
Mid Mid (pH 6-8) 2.09 5.56 -44.59 3 3 1 44 263.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-(5-methyl-2-furyl)ethanamine (2S)-2-(8-azaspiro[4.5]decan-8-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) 2.09 7.44 -126.79 4 3 2 45 264.413 3 ↓
Mid Mid (pH 6-8) 2.09 6.99 -28.84 3 3 1 44 263.405 3 ↓
Mid Mid (pH 6-8) 2.09 5.66 -44.37 3 3 1 44 263.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(5-methyl-2-furyl)butan-2-amine (1S,2S)-1-(8-azaspiro[4.5]decan-…

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) 3.03 9.06 -115.2 4 3 2 45 292.467 4 ↓
Mid Mid (pH 6-8) 3.03 7.01 -39.5 3 3 1 44 291.459 4 ↓
Mid Mid (pH 6-8) 3.03 8.72 -32.43 3 3 1 44 291.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(5-methyl-2-furyl)butan-2-amine (1S,2R)-1-(8-azaspiro[4.5]decan-…

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) 3.03 8.91 -114.07 4 3 2 45 292.467 4 ↓
Mid Mid (pH 6-8) 3.03 7.12 -41.17 3 3 1 44 291.459 4 ↓
Mid Mid (pH 6-8) 3.03 8.6 -30.31 3 3 1 44 291.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(5-methyl-2-furyl)butan-2-amine (1R,2S)-1-(8-azaspiro[4.5]decan-…

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) 3.03 8.92 -114.05 4 3 2 45 292.467 4 ↓
Mid Mid (pH 6-8) 3.03 8.63 -32.3 3 3 1 44 291.459 4 ↓
Mid Mid (pH 6-8) 3.03 7.2 -40.81 3 3 1 44 291.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(8-azaspiro[4.5]decan-8-yl)-1-(5-methyl-2-furyl)butan-2-amine (1R,2R)-1-(8-azaspiro[4.5]decan-…

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) 3.03 9.06 -116.15 4 3 2 45 292.467 4 ↓
Mid Mid (pH 6-8) 3.03 6.98 -39.08 3 3 1 44 291.459 4 ↓
Mid Mid (pH 6-8) 3.03 8.65 -29.44 3 3 1 44 291.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-(5-ethyl-2-furyl)ethanamine (2R)-2-(8-azaspiro[4.5]decan-8-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 8.11 -118.47 4 3 2 45 278.44 4 ↓
Mid Mid (pH 6-8) 2.67 6.34 -44.44 3 3 1 44 277.432 4 ↓
Mid Mid (pH 6-8) 2.67 7.76 -28.8 3 3 1 44 277.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-(5-ethyl-2-furyl)ethanamine (2S)-2-(8-azaspiro[4.5]decan-8-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 8.23 -127.11 4 3 2 45 278.44 4 ↓
Mid Mid (pH 6-8) 2.67 8.09 -29.24 3 3 1 44 277.432 4 ↓
Mid Mid (pH 6-8) 2.67 6.44 -44.18 3 3 1 44 277.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-(4,5-dibromo-2-furyl)ethanamine (2R)-2-(8-azaspiro[4.5]decan-8-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) 3.54 7.85 -128.94 4 3 2 45 408.178 3 ↓
Mid Mid (pH 6-8) 3.54 6.07 -48.97 3 3 1 44 407.17 3 ↓
Mid Mid (pH 6-8) 3.54 7.49 -33.73 3 3 1 44 407.17 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-(4,5-dibromo-2-furyl)ethanamine (2S)-2-(8-azaspiro[4.5]decan-8-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) 3.54 7.95 -136.9 4 3 2 45 408.178 3 ↓
Mid Mid (pH 6-8) 3.54 7.81 -34.03 3 3 1 44 407.17 3 ↓
Mid Mid (pH 6-8) 3.54 6.16 -48.84 3 3 1 44 407.17 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-(5-bromo-2-furyl)ethanamine (2R)-2-(8-azaspiro[4.5]decan-8-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) 2.81 7.23 -123.97 4 3 2 45 329.282 3 ↓
Mid Mid (pH 6-8) 2.81 6.89 -31.7 3 3 1 44 328.274 3 ↓
Mid Mid (pH 6-8) 2.81 5.47 -46.99 3 3 1 44 328.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-(5-bromo-2-furyl)ethanamine (2S)-2-(8-azaspiro[4.5]decan-8-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) 2.81 7.35 -131.99 4 3 2 45 329.282 3 ↓
Mid Mid (pH 6-8) 2.81 5.57 -46.76 3 3 1 44 328.274 3 ↓
Mid Mid (pH 6-8) 2.81 7.21 -31.75 3 3 1 44 328.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(8-azaspiro[4.5]decan-8-ylmethyl)furan-2-carboxylic 5-(8-azaspiro[4.5]decan-8-ylmeth…

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) 2.69 9.52 -63.78 1 4 0 58 263.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(8-azaspiro[4.5]decan-8-ylmethyl)furan-3-carboxylic 2-(8-azaspiro[4.5]decan-8-ylmeth…

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) 2.38 9.24 -42.13 1 4 0 58 263.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-methyl-furan-3-carboxylic 5-(8-azaspiro[4.5]decan-8-ylmeth…

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) 2.61 10.06 -63.1 1 4 0 58 277.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methyl-furan-2-carboxylic 5-(8-azaspiro[4.5]decan-8-ylmeth…

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) 3.07 10.11 -64.1 1 4 0 58 277.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(8-azaspiro[4.5]decan-8-ylmethyl)furan-3-carboxylic 5-(8-azaspiro[4.5]decan-8-ylmeth…

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) 2.38 9.36 -63.37 1 4 0 58 263.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-furyl]methanamine [5-(8-azaspiro[4.5]decan-8-ylmet…

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 6.92 -95.95 4 3 2 45 250.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-methyl-3-furyl]methanamine [5-(8-azaspiro[4.5]decan-8-ylmet…

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) 2.22 7.47 -97.78 4 3 2 45 264.413 3 ↓
Hi High (pH 8-9.5) 2.22 7.07 -34.52 3 3 1 44 263.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(8-azaspiro[4.5]decan-8-ylmethyl)-3-furyl]methanamine [2-(8-azaspiro[4.5]decan-8-ylmet…

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) 2.00 6.72 -113.99 4 3 2 45 250.386 3 ↓
Hi High (pH 8-9.5) 2.00 6.33 -36.2 3 3 1 44 249.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-ylmethyl)-3-furyl]-N-methyl-methanamine 1-[2-(8-azaspiro[4.5]decan-8-ylm…

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 8.6 -108.28 3 3 2 34 264.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-ylmethyl)-3-furyl]methyl]ethanamine N-[[2-(8-azaspiro[4.5]decan-8-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) 2.75 9.46 -108.52 3 3 2 34 278.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[2-(8-azaspiro[4.5]decan-8-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) 3.25 10.22 -110.51 3 3 2 34 292.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[2-(8-azaspiro[4.5]decan-8-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) 3.04 10 -106.58 3 3 2 34 292.467 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-methyl-3-furyl]-N-methyl-methanamine 1-[5-(8-azaspiro[4.5]decan-8-ylm…

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) 2.59 9.45 -92.17 3 3 2 34 278.44 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-methyl-3-furyl]methyl]ethanamine N-[[5-(8-azaspiro[4.5]decan-8-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) 2.97 10.2 -92.75 3 3 2 34 292.467 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-furyl]-N-methyl-methanamine 1-[5-(8-azaspiro[4.5]decan-8-ylm…

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) 2.68 8.79 -91.07 3 3 2 34 264.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-furyl]methyl]ethanamine N-[[5-(8-azaspiro[4.5]decan-8-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) 3.06 9.65 -90.9 3 3 2 34 278.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[5-(8-azaspiro[4.5]decan-8-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) 3.56 10.4 -92.34 3 3 2 34 292.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(8-azaspiro[4.5]decan-8-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[5-(8-azaspiro[4.5]decan-8-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) 3.36 10.16 -89.86 3 3 2 34 292.467 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methyl-2-furyl]-N-methyl-methanamine 1-[5-(8-azaspiro[4.5]decan-8-ylm…

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) 3.06 9.3 -90.87 3 3 2 34 278.44 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methyl-2-furyl]methyl]ethanamine N-[[5-(8-azaspiro[4.5]decan-8-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) 3.43 10.16 -90.62 3 3 2 34 292.467 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methyl-2-furyl]methanamine [5-(8-azaspiro[4.5]decan-8-ylmet…

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) 2.68 7.43 -96.01 4 3 2 45 264.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(8-azaspiro[4.5]decan-8-ylmethyl)-3-furyl]methanamine [5-(8-azaspiro[4.5]decan-8-ylmet…

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) 2.00 6.75 -95.51 4 3 2 45 250.386 3 ↓
Hi High (pH 8-9.5) 2.00 6.35 -35.03 3 3 1 44 249.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(8-azaspiro[4.5]decan-8-ylmethyl)-3-furyl]-N-methyl-methanamine 1-[5-(8-azaspiro[4.5]decan-8-ylm…

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 8.63 -92.82 3 3 2 34 264.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(8-azaspiro[4.5]decan-8-ylmethyl)-3-furyl]methyl]ethanamine N-[[5-(8-azaspiro[4.5]decan-8-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) 2.75 9.49 -92.58 3 3 2 34 278.44 5 ↓

Parameters Provided:

ring.id = 317433
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 = 317433 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=317433&filter.purchasability=annotated

Embed Link to Results