UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]piperidine-2,6-dione 1-[(2R)-2-cyclopropyl-2-(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) 0.54 4.45 -36.05 2 4 1 54 211.285 4 ↓
Hi High (pH 8-9.5) 0.54 4.01 -8.07 1 4 0 49 210.277 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]piperidine-2,6-dione 1-[(2S)-2-cyclopropyl-2-(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) 0.54 4.85 -33.05 2 4 1 54 211.285 4 ↓
Hi High (pH 8-9.5) 0.54 4.05 -7.65 1 4 0 49 210.277 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]piperidine-2,6-dione 1-[(2R)-2-cyclopropyl-2-(ethylam…

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) 0.91 5.66 -31.5 2 4 1 54 225.312 5 ↓
Hi High (pH 8-9.5) 0.91 4.93 -7.97 1 4 0 49 224.304 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]piperidine-2,6-dione 1-[(2S)-2-cyclopropyl-2-(ethylam…

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) 0.91 5.67 -31.32 2 4 1 54 225.312 5 ↓
Hi High (pH 8-9.5) 0.91 4.95 -7.4 1 4 0 49 224.304 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]piperidine-2,6-dione 1-[(2R)-2-cyclopropyl-2-(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) 1.41 6.4 -32.3 2 4 1 54 239.339 6 ↓
Hi High (pH 8-9.5) 1.41 5.68 -7.88 1 4 0 49 238.331 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]piperidine-2,6-dione 1-[(2S)-2-cyclopropyl-2-(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) 1.41 6.62 -32.04 2 4 1 54 239.339 6 ↓
Hi High (pH 8-9.5) 1.41 5.71 -7.28 1 4 0 49 238.331 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]-4,4-dimethyl-piperidine-2,6-dione 1-[(2R)-2-cyclopropyl-2-(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) 1.19 6.03 -33.08 2 4 1 54 239.339 4 ↓
Hi High (pH 8-9.5) 1.19 4.99 -6.71 1 4 0 49 238.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]-4,4-dimethyl-piperidine-2,6-dione 1-[(2S)-2-cyclopropyl-2-(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) 1.19 6.03 -33.05 2 4 1 54 239.339 4 ↓
Hi High (pH 8-9.5) 1.19 4.79 -7.95 1 4 0 49 238.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]-4,4-dimethyl-piperidine-2,6-dione 1-[(2R)-2-cyclopropyl-2-(ethylam…

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) 1.56 6.82 -31.35 2 4 1 54 253.366 5 ↓
Hi High (pH 8-9.5) 1.56 6.09 -6.96 1 4 0 49 252.358 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]-4,4-dimethyl-piperidine-2,6-dione 1-[(2S)-2-cyclopropyl-2-(ethylam…

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) 1.56 6.83 -31.16 2 4 1 54 253.366 5 ↓
Hi High (pH 8-9.5) 1.56 6.13 -6.49 1 4 0 49 252.358 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]-4,4-dimethyl-piperidine-2,6-dione 1-[(2R)-2-cyclopropyl-2-(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) 2.07 7.56 -32.2 2 4 1 54 267.393 6 ↓
Hi High (pH 8-9.5) 2.07 6.85 -6.9 1 4 0 49 266.385 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]-4,4-dimethyl-piperidine-2,6-dione 1-[(2S)-2-cyclopropyl-2-(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) 2.07 7.77 -31.81 2 4 1 54 267.393 6 ↓
Hi High (pH 8-9.5) 2.07 6.88 -6.32 1 4 0 49 266.385 6 ↓

Parameters Provided:

ring.id = 246636
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 = 246636 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=246636&filter.purchasability=annotated

Embed Link to Results