UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(4-ethyl-4-methyl-1-piperidyl)-3-methyl-phenyl]methyl]cyclopropanamine N-[[4-(4-ethyl-4-methyl-1-piperi…

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) 4.24 11 -35.53 2 2 1 20 287.471 5 ↓
Mid Mid (pH 6-8) 4.24 11.19 -85.6 3 2 2 21 288.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(4-ethyl-4-methyl-1-piperidyl)-2-methyl-phenyl]methyl]cyclopropanamine N-[[4-(4-ethyl-4-methyl-1-piperi…

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) 4.24 10.33 -33.64 2 2 1 20 287.471 5 ↓
Lo Low (pH 4.5-6) 4.24 11.04 -85.68 3 2 2 21 288.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(4-ethyl-4-methyl-1-piperidyl)phenyl]methyl]cyclopropanamine N-[[4-(4-ethyl-4-methyl-1-piperi…

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) 3.86 9.72 -34.18 2 2 1 20 273.444 5 ↓
Lo Low (pH 4.5-6) 3.86 10.41 -87.17 3 2 2 21 274.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(4-ethyl-4-methyl-1-piperidyl)-3-fluoro-phenyl]methyl]cyclopropanamine N-[[4-(4-ethyl-4-methyl-1-piperi…

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) 3.95 10.21 -39.97 2 2 1 20 291.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[4-[(cyclopropylamino)methyl]-2-fluoro-phenyl]piperidin-3-ol (3S)-1-[4-[(cyclopropylamino)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) 1.81 5.48 -43.18 3 3 1 40 265.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[4-[(cyclopropylamino)methyl]-2-fluoro-phenyl]piperidin-3-ol (3R)-1-[4-[(cyclopropylamino)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) 1.81 5.5 -42.17 3 3 1 40 265.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(cyclopropylamino)methyl]phenyl]-N-methyl-piperidine-4-carboxamide 1-[4-[(cyclopropylamino)methyl]p…

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) 1.84 6.53 -42.01 3 4 1 49 288.415 5 ↓

Analogs

42438230
42438230
42438231
42438231
42438232
42438232

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-1-[4-[(cyclopropylamino)methyl]phenyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-1-[4-[(cyclopropylamino)…

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 5.51 -40.44 4 4 1 63 288.415 5 ↓

Analogs

42438231
42438231
42438232
42438232
42438229
42438229

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-[4-[(cyclopropylamino)methyl]phenyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-1-[4-[(cyclopropylamino)…

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 5.66 -41.37 4 4 1 63 288.415 5 ↓

Analogs

42438232
42438232
42438229
42438229
42438230
42438230

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-[4-[(cyclopropylamino)methyl]phenyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-1-[4-[(cyclopropylamino)…

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 5.66 -41.45 4 4 1 63 288.415 5 ↓

Analogs

42438229
42438229
42438230
42438230
42438231
42438231

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-[4-[(cyclopropylamino)methyl]phenyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-1-[4-[(cyclopropylamino)…

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 5.52 -39.59 4 4 1 63 288.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[4-[(cyclopropylamino)methyl]phenyl]-4-piperidyl]acetamide 2-[1-[4-[(cyclopropylamino)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) 1.92 5.73 -40.07 4 4 1 63 288.415 6 ↓

Analogs

36796693
36796693
36796692
36796692
34824571
34824571
20195925
20195925

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[4-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol (3S)-1-[4-[(cyclopropylamino)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) 1.72 4.98 -36.6 3 3 1 40 247.362 4 ↓

Analogs

36796693
36796693
36796692
36796692
34824571
34824571
20195925
20195925

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[4-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol (3R)-1-[4-[(cyclopropylamino)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) 1.72 5 -36.4 3 3 1 40 247.362 4 ↓

Parameters Provided:

ring.id = 318602
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 = 318602 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=318602&filter.purchasability=annotated

Embed Link to Results