UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

52287124
52287124
52287126
52287126
52287128
52287128
52287130
52287130
52288114
52288114

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl-[(1S,2S)-1,2-dimethylbutyl]amino]-1-morpholino-ethanone 2-[cyclopropyl-[(1S,2S)-1,2-dime…

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) 1.86 6.9 -33.77 1 4 1 34 269.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylamino)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone 2-(cyclopropylamino)-1-[(6R)-2,2…

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) 0.83 4.49 -40.5 2 4 1 46 227.328 3 ↓
Hi High (pH 8-9.5) 0.83 3.21 -7.54 1 4 0 42 226.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylamino)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone 2-(cyclopropylamino)-1-[(6S)-2,2…

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) 0.83 4.49 -40.52 2 4 1 46 227.328 3 ↓
Hi High (pH 8-9.5) 0.83 3.21 -7.46 1 4 0 42 226.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[(1S)-1-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) -1.43 4.72 -28.15 1 6 0 74 256.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[(1R)-1-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) -1.43 4.74 -39.04 1 6 0 74 256.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[(2S,6R)-2,6-d…

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) -1.04 6.17 -40.34 1 6 0 74 270.329 5 ↓
Hi High (pH 8-9.5) -1.04 4.17 -48.36 0 6 -1 73 269.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[(2S,6S)-2,6-d…

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) -1.04 6.38 -29.35 1 6 0 74 270.329 5 ↓
Hi High (pH 8-9.5) -1.04 4.56 -48.37 0 6 -1 73 269.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[(2R,6R)-2,6-d…

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) -1.04 6.33 -40.52 1 6 0 74 270.329 5 ↓
Hi High (pH 8-9.5) -1.04 4.34 -48.45 0 6 -1 73 269.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl-(2-morpholino-2-oxo-ethyl)amino]acetic 2-[cyclopropyl-(2-morpholino-2-o…

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 4.66 -40.95 1 6 0 74 242.275 5 ↓
Hi High (pH 8-9.5) -1.76 2.68 -48.69 0 6 -1 73 241.267 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[(2R)-2-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) -1.40 5.46 -29.85 1 6 0 74 256.302 5 ↓
Hi High (pH 8-9.5) -1.40 3.62 -48.91 0 6 -1 73 255.294 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[(2S)-2-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) -1.40 5.46 -29.46 1 6 0 74 256.302 5 ↓
Hi High (pH 8-9.5) -1.40 3.62 -48.76 0 6 -1 73 255.294 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.51 6.47 -39.03 1 6 1 60 285.364 7 ↓
Mid Mid (pH 6-8) 0.51 4.64 -12.14 0 6 0 59 284.356 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) 0.51 6.45 -40.09 1 6 1 60 285.364 7 ↓
Mid Mid (pH 6-8) 0.51 4.46 -12.29 0 6 0 59 284.356 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) 0.14 5.72 -38.94 1 6 1 60 271.337 7 ↓
Mid Mid (pH 6-8) 0.14 3.89 -12.22 0 6 0 59 270.329 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylamino)-1-(3,3-dimethylmorpholin-4-yl)ethanone 2-(cyclopropylamino)-1-(3,3-dime…

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) 0.47 3.5 -39.43 2 4 1 46 213.301 3 ↓
Hi High (pH 8-9.5) 0.47 2.22 -7.13 1 4 0 42 212.293 3 ↓

Parameters Provided:

ring.id = 206185
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 = 206185 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=206185&filter.purchasability=annotated

Embed Link to Results