Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_hr86uv31b5djs2i2euhverak64, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(cyclopentylmethylamino)-1-piperidyl]ethanone 1-[4-(cyclopentylmethylamino)-1-…

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) 1.66 6.07 -48.7 2 3 1 37 225.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1-ethyl-4-piperidyl)-methyl-amino]methyl]cyclopentanol (1S,2S)-2-[[(1-ethyl-4-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) 1.77 3.99 -31.81 2 3 1 28 241.399 4 ↓
Mid Mid (pH 6-8) 1.77 6.22 -94.91 3 3 2 29 242.407 4 ↓
Mid Mid (pH 6-8) 1.77 4.2 -33.02 2 3 1 28 241.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1-ethyl-4-piperidyl)-methyl-amino]methyl]cyclopentanol (1S,2R)-2-[[(1-ethyl-4-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) 1.77 4.1 -33.87 2 3 1 28 241.399 4 ↓
Mid Mid (pH 6-8) 1.77 3.95 -33.48 2 3 1 28 241.399 4 ↓
Mid Mid (pH 6-8) 1.77 6.35 -99.31 3 3 2 29 242.407 4 ↓

Analogs

52507717
52507717
33414799
33414799

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(Cyclopentylmethyl)amino]-1-piperidinecarboxylic acid tert-butyl ester 4-[(Cyclopentylmethyl)amino]-1-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) 3.34 7.98 -46.6 2 4 1 46 283.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopentylethyl]piperidin-4-amine N-[(1S)-1-cyclopentylethyl]piper…

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) 2.04 5.22 -104.32 4 2 2 33 198.354 3 ↓
Mid Mid (pH 6-8) 2.04 3.88 -35.04 3 2 1 29 197.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentylethyl]piperidin-4-amine N-[(1R)-1-cyclopentylethyl]piper…

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) 2.04 5.28 -103.98 4 2 2 33 198.354 3 ↓
Mid Mid (pH 6-8) 2.04 3.95 -34.73 3 2 1 29 197.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxamide 4-[[(1S)-1-cyclopentylethyl]amin…

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) 1.91 3.97 -46.83 4 4 1 63 240.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-cyclopentylethyl]amino]piperidine-1-carboxamide 4-[[(1R)-1-cyclopentylethyl]amin…

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) 1.91 3.92 -46.92 4 4 1 63 240.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S,5R)-N-[(1S)-1-cyclopentylethyl]-1,2,5-trimethyl-piperidin-4-amine (2R,4S,5R)-N-[(1S)-1-cyclopentyl…

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) 3.44 6.83 -34.41 2 2 1 20 239.427 3 ↓
Mid Mid (pH 6-8) 3.44 8.79 -97.93 3 2 2 21 240.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S,5R)-N-[(1S)-1-cyclopentylethyl]-1,2,5-trimethyl-piperidin-4-amine (2S,4S,5R)-N-[(1S)-1-cyclopentyl…

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) 3.44 6.53 -32.06 2 2 1 20 239.427 3 ↓
Mid Mid (pH 6-8) 3.44 8.86 -100.83 3 2 2 21 240.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R,5R)-N-[(1S)-1-cyclopentylethyl]-1,2,5-trimethyl-piperidin-4-amine (2R,4R,5R)-N-[(1S)-1-cyclopentyl…

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) 3.44 5.93 -34.18 2 2 1 20 239.427 3 ↓
Mid Mid (pH 6-8) 3.44 8.22 -99.11 3 2 2 21 240.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R,5R)-N-[(1S)-1-cyclopentylethyl]-1,2,5-trimethyl-piperidin-4-amine (2S,4R,5R)-N-[(1S)-1-cyclopentyl…

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) 3.44 6.18 -34.24 2 2 1 20 239.427 3 ↓
Mid Mid (pH 6-8) 3.44 8.48 -99.09 3 2 2 21 240.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(1S)-1-cyclopentylethyl]amino]-1-piperidyl]-N,N-dimethyl-acetamide 2-[4-[[(1S)-1-cyclopentylethyl]a…

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) 1.54 5.68 -40 2 4 1 40 282.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(1R)-1-cyclopentylethyl]amino]-1-piperidyl]-N,N-dimethyl-acetamide 2-[4-[[(1R)-1-cyclopentylethyl]a…

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) 1.54 5.61 -40.11 2 4 1 40 282.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopentylethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine N-[(1S)-1-cyclopentylethyl]-1-(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) 4.31 7.95 -35.34 2 2 1 20 265.465 5 ↓
Mid Mid (pH 6-8) 4.31 10.21 -103.47 3 2 2 21 266.473 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentylethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine N-[(1R)-1-cyclopentylethyl]-1-(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) 4.31 7.92 -35.37 2 2 1 20 265.465 5 ↓
Mid Mid (pH 6-8) 4.31 10.17 -103.35 3 2 2 21 266.473 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 3.66 8.42 -43.66 2 4 1 46 297.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 3.66 8.35 -43.81 2 4 1 46 297.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopentylethyl]-1-prop-2-ynyl-piperidin-4-amine N-[(1S)-1-cyclopentylethyl]-1-pr…

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) 2.79 6.51 -37.1 2 2 1 20 235.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentylethyl]-1-prop-2-ynyl-piperidin-4-amine N-[(1R)-1-cyclopentylethyl]-1-pr…

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) 2.79 6.44 -37.21 2 2 1 20 235.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(1S)-1-cyclopentylethyl]-1-(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) 3.56 6.51 -38.81 2 2 1 20 279.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(1R)-1-cyclopentylethyl]-1-(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) 3.56 6.46 -38.86 2 2 1 20 279.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(4-piperidylamino)methyl]cyclopentyl]methanol [1-[(4-piperidylamino)methyl]cyc…

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) 0.77 2.35 -111.17 5 3 2 53 214.353 4 ↓
Mid Mid (pH 6-8) 0.77 1.01 -40.18 4 3 1 49 213.345 4 ↓
Mid Mid (pH 6-8) 0.77 2.13 -36.5 4 3 1 49 213.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-1-methylsulfonyl-piperidin-4-amine N-(cyclopentylmethyl)-1-methylsu…

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 3.74 -48.47 2 4 1 54 261.411 4 ↓

Analogs

42375121
42375121

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-N-propyl-piperidin-4-amine N-(cyclopentylmethyl)-N-propyl-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) 2.83 7.91 -102.48 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 2.83 5.96 -38.16 2 2 1 20 225.4 5 ↓
Mid Mid (pH 6-8) 2.83 6.56 -31.89 2 2 1 16 225.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentylmethyl(4-piperidyl)amino]acetamide 2-[cyclopentylmethyl(4-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) 0.68 1.3 -40.62 4 4 1 63 240.371 5 ↓

Parameters Provided:

ring.id = 15381
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 = 15381 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=15381&filter.purchasability=annotated

Embed Link to Results