UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-3-furyl-[(2S)-2-piperidyl]methanol (S)-3-furyl-[(2S)-2-piperidyl]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) 0.75 2.14 -37.3 3 3 1 50 182.243 2 ↓
Hi High (pH 8-9.5) 0.75 0.87 -3.48 2 3 0 45 181.235 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-3-furyl-[(2S)-2-piperidyl]methanol (R)-3-furyl-[(2S)-2-piperidyl]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) 0.75 1.78 -37.46 3 3 1 50 182.243 2 ↓
Hi High (pH 8-9.5) 0.75 0.47 -4.17 2 3 0 45 181.235 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-3-furyl-[(2R)-2-piperidyl]methanol (S)-3-furyl-[(2R)-2-piperidyl]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) 0.75 1.74 -37.49 3 3 1 50 182.243 2 ↓
Hi High (pH 8-9.5) 0.75 0.54 -4.18 2 3 0 45 181.235 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-3-furyl-[(2R)-2-piperidyl]methanol (R)-3-furyl-[(2R)-2-piperidyl]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) 0.75 2.14 -36.78 3 3 1 50 182.243 2 ↓
Hi High (pH 8-9.5) 0.75 1.14 -4.01 2 3 0 45 181.235 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-3-furyl-[(2S,4R)-4-methyl-2-piperidyl]methanol (R)-3-furyl-[(2S,4R)-4-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) 0.99 2.35 -36.58 3 3 1 50 196.27 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-3-furyl-[(2S,4S)-4-methyl-2-piperidyl]methanol (R)-3-furyl-[(2S,4S)-4-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) 0.99 2.11 -36.12 3 3 1 50 196.27 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-3-furyl-[(2R,4R)-4-methyl-2-piperidyl]methanol (R)-3-furyl-[(2R,4R)-4-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) 0.99 2.52 -37.2 3 3 1 50 196.27 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-3-furyl-[(2R,4S)-4-methyl-2-piperidyl]methanol (R)-3-furyl-[(2R,4S)-4-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) 0.99 2.75 -37.63 3 3 1 50 196.27 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2S,4R)-4-ethyl-2-piperidyl]-(3-furyl)methanol (R)-[(2S,4R)-4-ethyl-2-piperidyl…

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 3.01 -37.06 3 3 1 50 210.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2S,4S)-4-ethyl-2-piperidyl]-(3-furyl)methanol (R)-[(2S,4S)-4-ethyl-2-piperidyl…

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 2.73 -36.81 3 3 1 50 210.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2R,4R)-4-ethyl-2-piperidyl]-(3-furyl)methanol (R)-[(2R,4R)-4-ethyl-2-piperidyl…

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 3.14 -37.88 3 3 1 50 210.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2R,4S)-4-ethyl-2-piperidyl]-(3-furyl)methanol (R)-[(2R,4S)-4-ethyl-2-piperidyl…

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 3.4 -38.12 3 3 1 50 210.297 3 ↓

Parameters Provided:

ring.id = 477875
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 = 477875 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=477875&filter.purchasability=annotated

Embed Link to Results