UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22174362
22174362
35765429
35765429
35765431
35765431

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-bromo-2-furyl)-N-cyclopentyl-N-methyl-ethane-1,2-diamine (1S)-1-(5-bromo-2-furyl)-N-cyclo…

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) 2.32 3.74 -46.64 3 3 1 44 288.209 4 ↓
Mid Mid (pH 6-8) 2.32 5.39 -32.17 3 3 1 44 288.209 4 ↓

Analogs

22174362
22174362
35765429
35765429
35765431
35765431

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-bromo-2-furyl)-N-cyclopentyl-N-methyl-ethane-1,2-diamine (1R)-1-(5-bromo-2-furyl)-N-cyclo…

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) 2.32 4.06 -46.16 3 3 1 44 288.209 4 ↓
Mid Mid (pH 6-8) 2.32 5.41 -29.05 3 3 1 44 288.209 4 ↓

Analogs

22223182
22223182
22223184
22223184

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopentyl-N-methyl-1-(5-methyl-2-furyl)ethane-1,2-diamine (1R)-N-cyclopentyl-N-methyl-1-(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) 1.61 4.09 -39.11 3 3 1 44 223.34 4 ↓
Mid Mid (pH 6-8) 1.61 5.6 -28.28 3 3 1 44 223.34 4 ↓

Analogs

22223182
22223182
22223184
22223184

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopentyl-N-methyl-1-(5-methyl-2-furyl)ethane-1,2-diamine (1S)-N-cyclopentyl-N-methyl-1-(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) 1.61 3.73 -44.24 3 3 1 44 223.34 4 ↓
Mid Mid (pH 6-8) 1.61 5.98 -27.25 3 3 1 44 223.34 4 ↓

Analogs

19362027
19362027

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopentyl-1-(2-furyl)-N-methyl-ethane-1,2-diamine (1S)-N-cyclopentyl-1-(2-furyl)-N…

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) 1.39 3.26 -44 3 3 1 44 209.313 4 ↓
Mid Mid (pH 6-8) 1.39 4.69 -27.54 3 3 1 44 209.313 4 ↓

Analogs

35765339
35765339
35765341
35765341

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopentyl-1-(2-furyl)-N-methyl-ethane-1,2-diamine (1R)-N-cyclopentyl-1-(2-furyl)-N…

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) 1.39 3.33 -43.94 3 3 1 44 209.313 4 ↓
Mid Mid (pH 6-8) 1.39 4.77 -28.96 3 3 1 44 209.313 4 ↓

Analogs

8729690
8729690

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[cyclopentyl(methyl)amino]methyl]furan-2-carboxylic 5-[[cyclopentyl(methyl)amino]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) 2.21 8.06 -62.78 1 4 0 58 223.272 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-chloro-N-cyclopentyl-N-(2-furylmethyl)-2-methyl-propanamide (2R)-3-chloro-N-cyclopentyl-N-(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) 3.07 8.31 -7.01 0 3 0 33 269.772 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-chloro-N-cyclopentyl-N-(2-furylmethyl)-2-methyl-propanamide (2S)-3-chloro-N-cyclopentyl-N-(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) 3.07 8.25 -6.73 0 3 0 33 269.772 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2-furylmethylamino)cyclopentanecarbonitrile (1S,2R)-2-(2-furylmethylamino)cy…

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) 1.80 5.69 -42.65 2 3 1 54 191.254 3 ↓
Hi High (pH 8-9.5) 1.80 4.5 -9.09 1 3 0 49 190.246 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-furylmethylamino)cyclopentanecarbonitrile (1S,2S)-2-(2-furylmethylamino)cy…

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) 1.80 5.48 -47.87 2 3 1 54 191.254 3 ↓
Hi High (pH 8-9.5) 1.80 4.31 -8.49 1 3 0 49 190.246 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-furylmethylamino)cyclopentanecarbonitrile (1R,2R)-2-(2-furylmethylamino)cy…

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) 1.80 5.54 -48.62 2 3 1 54 191.254 3 ↓
Hi High (pH 8-9.5) 1.80 4.31 -6.77 1 3 0 49 190.246 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-furylmethylamino)cyclopentanecarbonitrile (1R,2S)-2-(2-furylmethylamino)cy…

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) 1.80 5.65 -43.42 2 3 1 54 191.254 3 ↓
Hi High (pH 8-9.5) 1.80 4.69 -9.15 1 3 0 49 190.246 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-(2-furyl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S)-1-(2-furyl)ethy…

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 6.22 -35.75 2 3 1 54 205.281 3 ↓
Hi High (pH 8-9.5) 2.36 5.01 -9.06 1 3 0 49 204.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-(2-furyl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R)-1-(2-furyl)ethy…

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 6.16 -39.33 2 3 1 54 205.281 3 ↓
Hi High (pH 8-9.5) 2.36 5.16 -9.47 1 3 0 49 204.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-(2-furyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1S)-1-(2-furyl)ethy…

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 5.96 -44.19 2 3 1 54 205.281 3 ↓
Hi High (pH 8-9.5) 2.36 4.93 -7.21 1 3 0 49 204.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(2-furyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1R)-1-(2-furyl)ethy…

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 6.04 -46.93 2 3 1 54 205.281 3 ↓
Hi High (pH 8-9.5) 2.36 4.8 -8.24 1 3 0 49 204.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-(5-methyl-2-furyl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R)-1-(5-methyl-2-f…

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) 2.58 6.98 -39.33 2 3 1 54 219.308 3 ↓
Hi High (pH 8-9.5) 2.58 5.98 -9.99 1 3 0 49 218.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-(5-methyl-2-furyl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S)-1-(5-methyl-2-f…

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) 2.58 7.05 -35.51 2 3 1 54 219.308 3 ↓
Hi High (pH 8-9.5) 2.58 5.83 -9.51 1 3 0 49 218.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(5-methyl-2-furyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1R)-1-(5-methyl-2-f…

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) 2.58 6.86 -46.88 2 3 1 54 219.308 3 ↓
Hi High (pH 8-9.5) 2.58 5.62 -8.51 1 3 0 49 218.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-(5-methyl-2-furyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1S)-1-(5-methyl-2-f…

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) 2.58 6.79 -43.99 2 3 1 54 219.308 3 ↓
Hi High (pH 8-9.5) 2.58 5.76 -7.38 1 3 0 49 218.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(5-methyl-2-furyl)methylamino]cyclopentanecarbonitrile (1S,2R)-2-[(5-methyl-2-furyl)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) 2.02 6.51 -42.72 2 3 1 54 205.281 3 ↓
Hi High (pH 8-9.5) 2.02 5.32 -9.51 1 3 0 49 204.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(5-methyl-2-furyl)methylamino]cyclopentanecarbonitrile (1S,2S)-2-[(5-methyl-2-furyl)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) 2.02 6.3 -47.92 2 3 1 54 205.281 3 ↓
Hi High (pH 8-9.5) 2.02 5.13 -8.86 1 3 0 49 204.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(5-methyl-2-furyl)methylamino]cyclopentanecarbonitrile (1R,2R)-2-[(5-methyl-2-furyl)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) 2.02 6.36 -48.53 2 3 1 54 205.281 3 ↓
Hi High (pH 8-9.5) 2.02 5.14 -6.98 1 3 0 49 204.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(5-methyl-2-furyl)methylamino]cyclopentanecarbonitrile (1R,2S)-2-[(5-methyl-2-furyl)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) 2.02 6.47 -43.35 2 3 1 54 205.281 3 ↓
Hi High (pH 8-9.5) 2.02 5.51 -9.53 1 3 0 49 204.273 3 ↓

Analogs

43605036
43605036

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-3-(ethylamino)-N-(2-furylmethyl)propanamide N-cyclopentyl-3-(ethylamino)-N-(…

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) 1.80 7.07 -44.05 2 4 1 50 265.377 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-(ethylamino)-N-(2-furylmethyl)-2-methyl-propanamide N-cyclopentyl-2-(ethylamino)-N-(…

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 7.81 -34.82 2 4 1 50 279.404 6 ↓
Hi High (pH 8-9.5) 2.69 6.62 -7.99 1 4 0 45 278.396 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-(2-furylmethyl)-2-methyl-2-(methylamino)propanamide N-cyclopentyl-N-(2-furylmethyl)-…

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 7.38 -36.26 2 4 1 50 265.377 5 ↓
Hi High (pH 8-9.5) 2.31 6.37 -6.37 1 4 0 45 264.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-bromo-N-cyclopentyl-N-(2-furylmethyl)butanamide (2S)-2-bromo-N-cyclopentyl-N-(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) 3.32 8.11 -8.79 0 3 0 33 314.223 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-bromo-N-cyclopentyl-N-(2-furylmethyl)butanamide (2R)-2-bromo-N-cyclopentyl-N-(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) 3.32 8.26 -7.83 0 3 0 33 314.223 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[3-(methylaminomethyl)-2-furyl]methyl]cyclopentanamine N-methyl-N-[[3-(methylaminomethy…

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) 1.88 6.74 -104.27 3 3 2 34 224.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[3-(propylaminomethyl)-2-furyl]methyl]cyclopentanamine N-methyl-N-[[3-(propylaminomethy…

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) 2.76 8.37 -106.32 3 3 2 34 252.402 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[(isopropylamino)methyl]-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[3-[(isopropylamino)methyl]-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) 2.56 8.12 -102.22 3 3 2 34 252.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[(tert-butylamino)methyl]-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[3-[(tert-butylamino)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) 3.07 8.53 -101.46 3 3 2 34 266.429 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[(isobutylamino)methyl]-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[3-[(isobutylamino)methyl]-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) 3.01 9.05 -106.82 3 3 2 34 266.429 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-methyl-4-(methylaminomethyl)-2-furyl]methyl]cyclopentanamine N-methyl-N-[[5-methyl-4-(methyla…

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) 2.11 7.89 -90.16 3 3 2 34 238.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(ethylaminomethyl)-5-methyl-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[4-(ethylaminomethyl)-5-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) 2.48 8.74 -90.02 3 3 2 34 252.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-methyl-4-(propylaminomethyl)-2-furyl]methyl]cyclopentanamine N-methyl-N-[[5-methyl-4-(propyla…

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 9.49 -91.45 3 3 2 34 266.429 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(isopropylamino)methyl]-5-methyl-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[4-[(isopropylamino)methyl]-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) 2.78 9.27 -88.88 3 3 2 34 266.429 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(tert-butylamino)methyl]-5-methyl-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[4-[(tert-butylamino)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) 3.29 9.67 -88.05 3 3 2 34 280.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(isobutylamino)methyl]-5-methyl-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[4-[(isobutylamino)methyl]-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) 3.23 10.19 -91.92 3 3 2 34 280.456 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-(methylaminomethyl)-2-furyl]methyl]cyclopentanamine N-methyl-N-[[5-(methylaminomethy…

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) 2.20 7.31 -87.92 3 3 2 34 224.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(ethylaminomethyl)-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[5-(ethylaminomethyl)-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) 2.57 8.18 -87.79 3 3 2 34 238.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[5-(propylaminomethyl)-2-furyl]methyl]cyclopentanamine N-methyl-N-[[5-(propylaminomethy…

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 8.94 -89.19 3 3 2 34 252.402 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(isopropylamino)methyl]-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[5-[(isopropylamino)methyl]-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) 2.87 8.7 -86.73 3 3 2 34 252.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(tert-butylamino)methyl]-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[5-[(tert-butylamino)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) 3.38 9.12 -85.47 3 3 2 34 266.429 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(isobutylamino)methyl]-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[5-[(isobutylamino)methyl]-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) 3.32 9.63 -89.71 3 3 2 34 266.429 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(aminomethyl)-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[5-(aminomethyl)-2-furyl]meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 5.45 -92.82 4 3 2 45 210.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(aminomethyl)-5-methyl-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[4-(aminomethyl)-5-methyl-2-f…

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 6.01 -95.06 4 3 2 45 224.348 4 ↓
Hi High (pH 8-9.5) 1.73 5.61 -32.39 3 3 1 44 223.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(aminomethyl)-2-furyl]methyl]-N-methyl-cyclopentanamine N-[[3-(aminomethyl)-2-furyl]meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.51 4.87 -110.05 4 3 2 45 210.321 4 ↓
Hi High (pH 8-9.5) 1.51 4.48 -34.33 3 3 1 44 209.313 4 ↓

Parameters Provided:

ring.id = 139698
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 = 139698 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=139698&filter.purchasability=annotated

Embed Link to Results