UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20614825
20614825

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-furyl)-2-morpholino-ethyl]methanesulfonamide N-[(2R)-2-(2-furyl)-2-morpholino…

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 -0.92 -12.79 1 6 0 72 274.342 5 ↓

Analogs

20614823
20614823

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-furyl)-2-morpholino-ethyl]methanesulfonamide N-[(2S)-2-(2-furyl)-2-morpholino…

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 -1.4 -14.28 1 6 0 72 274.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(2-furyl)-2-morpholino-ethyl]-N-propyl-oxamide N'-[(2R)-2-(2-furyl)-2-morpholin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.12 0.31 -8.68 2 7 0 84 309.366 7 ↓
Lo Low (pH 4.5-6) 0.12 2.4 -41.29 3 7 1 85 310.374 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-N-propyl-oxamide N'-[(2S)-2-(2-furyl)-2-morpholin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.12 0.24 -8.72 2 7 0 84 309.366 7 ↓
Lo Low (pH 4.5-6) 0.12 2.4 -41.47 3 7 1 85 310.374 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N'-[(2R)-2-(2-furyl)-2-morpholino-ethyl]oxamide N-allyl-N'-[(2R)-2-(2-furyl)-2-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) -0.12 0.11 -8.58 2 7 0 84 307.35 7 ↓
Lo Low (pH 4.5-6) -0.12 2.2 -41.38 3 7 1 85 308.358 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N'-[(2S)-2-(2-furyl)-2-morpholino-ethyl]oxamide N-allyl-N'-[(2S)-2-(2-furyl)-2-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) -0.12 0.04 -8.65 2 7 0 84 307.35 7 ↓
Lo Low (pH 4.5-6) -0.12 2.2 -41.54 3 7 1 85 308.358 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-furyl)-2-morpholino-ethyl]-2,2-dimethyl-propanamide N-[(2R)-2-(2-furyl)-2-morpholino…

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) 2.17 3.13 -10.91 1 5 0 55 280.368 5 ↓
Mid Mid (pH 6-8) 2.17 5.23 -48.65 2 5 1 56 281.376 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-2,2-dimethyl-propanamide N-[(2S)-2-(2-furyl)-2-morpholino…

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) 2.17 3.06 -11.03 1 5 0 55 280.368 5 ↓
Mid Mid (pH 6-8) 2.17 5.23 -48.83 2 5 1 56 281.376 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(2-furyl)-2-morpholino-ethyl]-N-methyl-oxamide N'-[(2R)-2-(2-furyl)-2-morpholin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.76 -1.31 -9.37 2 7 0 84 281.312 5 ↓
Lo Low (pH 4.5-6) -0.76 0.78 -41.85 3 7 1 85 282.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-N-methyl-oxamide N'-[(2S)-2-(2-furyl)-2-morpholin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.76 -1.38 -9.5 2 7 0 84 281.312 5 ↓
Lo Low (pH 4.5-6) -0.76 0.78 -41.97 3 7 1 85 282.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N'-[(2R)-2-(2-furyl)-2-morpholino-ethyl]oxamide N-ethyl-N'-[(2R)-2-(2-furyl)-2-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) -0.38 -0.44 -8.82 2 7 0 84 295.339 6 ↓
Lo Low (pH 4.5-6) -0.38 1.65 -41.33 3 7 1 85 296.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N'-[(2S)-2-(2-furyl)-2-morpholino-ethyl]oxamide N-ethyl-N'-[(2S)-2-(2-furyl)-2-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) -0.38 -0.51 -8.89 2 7 0 84 295.339 6 ↓
Lo Low (pH 4.5-6) -0.38 1.65 -41.47 3 7 1 85 296.347 6 ↓

Analogs

38630508
38630508
38630509
38630509

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(2-furyl)-2-morpholino-ethyl]-N-isopropyl-oxamide N'-[(2R)-2-(2-furyl)-2-morpholin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.09 0.36 -8.79 2 7 0 84 309.366 6 ↓
Lo Low (pH 4.5-6) -0.09 2.45 -41.08 3 7 1 85 310.374 6 ↓

Analogs

38630508
38630508
38630509
38630509

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-N-isopropyl-oxamide N'-[(2S)-2-(2-furyl)-2-morpholin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.09 0.29 -8.81 2 7 0 84 309.366 6 ↓
Lo Low (pH 4.5-6) -0.09 2.45 -41.25 3 7 1 85 310.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(2-furyl)-2-morpholino-ethyl]-N-isobutyl-oxamide N'-[(2R)-2-(2-furyl)-2-morpholin…

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) 0.36 1.06 -8.32 2 7 0 84 323.393 7 ↓
Lo Low (pH 4.5-6) 0.36 3.15 -41.15 3 7 1 85 324.401 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-N-isobutyl-oxamide N'-[(2S)-2-(2-furyl)-2-morpholin…

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) 0.36 0.99 -8.41 2 7 0 84 323.393 7 ↓
Lo Low (pH 4.5-6) 0.36 3.15 -41.26 3 7 1 85 324.401 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-furyl)-2-morpholino-ethyl]-2-methyl-propanamide N-[(2R)-2-(2-furyl)-2-morpholino…

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 2.55 -10.89 1 5 0 55 266.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-2-methyl-propanamide N-[(2S)-2-(2-furyl)-2-morpholino…

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 2.48 -11.04 1 5 0 55 266.341 5 ↓

Analogs

19702315
19702315

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-furyl)ethanamine (2S)-2-[(2S,6S)-2,6-dimethylmorp…

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) 0.56 1.9 -48.62 3 4 1 53 225.312 3 ↓
Lo Low (pH 4.5-6) 0.56 3.38 -116.39 4 4 2 54 226.32 3 ↓

Analogs

42463563
42463563
42463564
42463564
42467772
42467772
42467775
42467775
22174362
22174362

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-bromo-2-furyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine (2S)-2-(5-bromo-2-furyl)-2-[(2S,…

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) 1.49 2.63 -51.34 3 4 1 53 304.208 3 ↓
Lo Low (pH 4.5-6) 1.49 4.12 -122.8 4 4 2 54 305.216 3 ↓

Analogs

19735625
19735625

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-methyl-2-furyl)-2-[(2R)-2-methylmorpholin-4-yl]ethanamine (2R)-2-(5-methyl-2-furyl)-2-[(2R…

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 2.06 -41.66 3 4 1 53 225.312 3 ↓
Lo Low (pH 4.5-6) 0.42 3.5 -116.05 4 4 2 54 226.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-furyl)-2-morpholino-ethyl]-3-methyl-butanamide N-[(2R)-2-(2-furyl)-2-morpholino…

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) 1.79 3.23 -10.55 1 5 0 55 280.368 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-3-methyl-butanamide N-[(2S)-2-(2-furyl)-2-morpholino…

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) 1.79 3.16 -10.67 1 5 0 55 280.368 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(2-furyl)-2-morpholino-ethyl]-N-(2-methoxyethyl)oxamide N'-[(2R)-2-(2-furyl)-2-morpholin…

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) -0.78 -1.39 -9.73 2 8 0 93 325.365 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-N-(2-methoxyethyl)oxamide N'-[(2S)-2-(2-furyl)-2-morpholin…

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) -0.78 -1.46 -9.69 2 8 0 93 325.365 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-furyl)-2-morpholino-ethyl]-N'-(3-hydroxypropyl)oxamide N-[(2R)-2-(2-furyl)-2-morpholino…

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) -1.12 -3.06 -11.48 3 8 0 104 325.365 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-N'-(3-hydroxypropyl)oxamide N-[(2S)-2-(2-furyl)-2-morpholino…

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) -1.12 -3.13 -11.59 3 8 0 104 325.365 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(2-furyl)-2-morpholino-ethyl]-N-(3-methoxypropyl)oxamide N'-[(2R)-2-(2-furyl)-2-morpholin…

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) -0.50 -0.63 -9.65 2 8 0 93 339.392 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-N-(3-methoxypropyl)oxamide N'-[(2S)-2-(2-furyl)-2-morpholin…

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) -0.50 -0.7 -9.72 2 8 0 93 339.392 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(2-furyl)-2-morpholino-ethyl]-N-[(2R)-2-hydroxypropyl]oxamide N'-[(2R)-2-(2-furyl)-2-morpholin…

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 -2.77 -10.94 3 8 0 104 325.365 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(2-furyl)-2-morpholino-ethyl]-N-[(2S)-2-hydroxypropyl]oxamide N'-[(2R)-2-(2-furyl)-2-morpholin…

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 -2.88 -11.04 3 8 0 104 325.365 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-N-[(2R)-2-hydroxypropyl]oxamide N'-[(2S)-2-(2-furyl)-2-morpholin…

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 -2.83 -11.06 3 8 0 104 325.365 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-N-[(2S)-2-hydroxypropyl]oxamide N'-[(2S)-2-(2-furyl)-2-morpholin…

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 -2.94 -11.07 3 8 0 104 325.365 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-(morpholinomethyl)-3-furyl]methanamine N-methyl-1-[2-(morpholinomethyl)…

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 1.35 -41.02 2 4 1 42 211.285 4 ↓
Mid Mid (pH 6-8) 0.33 3.62 -104.44 3 4 2 43 212.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(morpholinomethyl)-3-furyl]methyl]ethanamine N-[[2-(morpholinomethyl)-3-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) 0.71 2.22 -39.97 2 4 1 42 225.312 5 ↓
Mid Mid (pH 6-8) 0.71 4.49 -104.63 3 4 2 43 226.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(morpholinomethyl)-3-furyl]methyl]propan-1-amine N-[[2-(morpholinomethyl)-3-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) 1.21 2.97 -40.74 2 4 1 42 239.339 6 ↓
Mid Mid (pH 6-8) 1.21 5.24 -106.49 3 4 2 43 240.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(morpholinomethyl)-3-furyl]methyl]propan-2-amine N-[[2-(morpholinomethyl)-3-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) 1.00 2.72 -38.22 2 4 1 42 239.339 5 ↓
Mid Mid (pH 6-8) 1.00 5 -104.08 3 4 2 43 240.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-(morpholinomethyl)-3-furyl]methyl]propan-2-amine 2-methyl-N-[[2-(morpholinomethyl…

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) 1.52 3.14 -36.45 2 4 1 42 253.366 5 ↓
Mid Mid (pH 6-8) 1.52 5.41 -101.41 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-(morpholinomethyl)-3-furyl]methyl]propan-1-amine 2-methyl-N-[[2-(morpholinomethyl…

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) 1.45 3.65 -40.5 2 4 1 42 253.366 6 ↓
Mid Mid (pH 6-8) 1.45 5.93 -107.66 3 4 2 43 254.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-methyl-5-(morpholinomethyl)-3-furyl]methanamine N-methyl-1-[2-methyl-5-(morpholi…

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) 0.55 2.51 -41.14 2 4 1 42 225.312 4 ↓
Mid Mid (pH 6-8) 0.55 4.78 -91.96 3 4 2 43 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.93 3.36 -40.25 2 4 1 42 239.339 5 ↓
Mid Mid (pH 6-8) 0.93 5.63 -91.74 3 4 2 43 240.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-(morpholinomethyl)-3-furyl]methyl]propan-1-amine N-[[2-methyl-5-(morpholinomethyl…

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) 1.43 4.12 -41.15 2 4 1 42 253.366 6 ↓
Mid Mid (pH 6-8) 1.43 6.38 -93.23 3 4 2 43 254.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-(morpholinomethyl)-3-furyl]methyl]propan-2-amine N-[[2-methyl-5-(morpholinomethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 3.89 -38.77 2 4 1 42 253.366 5 ↓
Mid Mid (pH 6-8) 1.23 6.16 -90.91 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-methyl-5-(morpholinomethyl)-3-furyl]methyl]propan-2-amine 2-methyl-N-[[2-methyl-5-(morphol…

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) 1.74 4.3 -37.12 2 4 1 42 267.393 5 ↓
Mid Mid (pH 6-8) 1.74 6.57 -89.8 3 4 2 43 268.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-methyl-5-(morpholinomethyl)-3-furyl]methyl]propan-1-amine 2-methyl-N-[[2-methyl-5-(morphol…

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) 1.68 4.82 -41.11 2 4 1 42 267.393 6 ↓
Mid Mid (pH 6-8) 1.68 7.08 -93.76 3 4 2 43 268.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(morpholinomethyl)-2-furyl]methyl]propan-1-amine N-[[5-(morpholinomethyl)-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) 1.52 3.46 -39.88 2 4 1 42 239.339 6 ↓
Mid Mid (pH 6-8) 1.52 5.73 -91.54 3 4 2 43 240.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-(morpholinomethyl)-2-furyl]methyl]propan-2-amine 2-methyl-N-[[5-(morpholinomethyl…

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) 1.83 3.66 -35.6 2 4 1 42 253.366 5 ↓
Mid Mid (pH 6-8) 1.83 5.94 -87.92 3 4 2 43 254.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-(morpholinomethyl)-2-furyl]methyl]propan-1-amine 2-methyl-N-[[5-(morpholinomethyl…

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) 1.76 4.16 -39.88 2 4 1 42 253.366 6 ↓
Mid Mid (pH 6-8) 1.76 6.42 -92.21 3 4 2 43 254.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-methyl-5-(morpholinomethyl)-3-furyl]methanamine [2-methyl-5-(morpholinomethyl)-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) 0.18 0.64 -46.6 3 4 1 53 211.285 3 ↓
Hi High (pH 8-9.5) 0.18 0.22 -4.81 2 4 0 52 210.277 3 ↓
Mid Mid (pH 6-8) 0.18 2.91 -96.76 4 4 2 54 212.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(morpholinomethyl)-3-furyl]methanamine [2-(morpholinomethyl)-3-furyl]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) -0.04 -0.53 -46.63 3 4 1 53 197.258 3 ↓
Hi High (pH 8-9.5) -0.04 -0.95 -4.68 2 4 0 52 196.25 3 ↓
Mid Mid (pH 6-8) -0.04 1.74 -110.35 4 4 2 54 198.266 3 ↓

Parameters Provided:

ring.id = 28012
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 = 28012 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28012&filter.purchasability=annotated

Embed Link to Results