Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_cdr82uti2rej222pnc4lpt99p4, 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: (2R,4R)-4-hydroxy-1-[(2S)-morpholine-2-carbonyl]pyrrolidine-2-carboxamide (2R,4R)-4-hydroxy-1-[(2S)-morpho…

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) -2.30 -3.66 -63.31 5 7 1 109 244.271 2 ↓
Mid Mid (pH 6-8) -2.30 -5.02 -21.11 4 7 0 105 243.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-hydroxy-1-[(2R)-morpholine-2-carbonyl]pyrrolidine-2-carboxamide (2R,4R)-4-hydroxy-1-[(2R)-morpho…

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) -2.30 -3.48 -59.37 5 7 1 109 244.271 2 ↓
Mid Mid (pH 6-8) -2.30 -4.84 -20.06 4 7 0 105 243.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-hydroxy-1-[(2S)-morpholine-2-carbonyl]pyrrolidine-2-carboxamide (2R,4S)-4-hydroxy-1-[(2S)-morpho…

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) -2.30 -3.66 -63.07 5 7 1 109 244.271 2 ↓
Mid Mid (pH 6-8) -2.30 -5.02 -21.97 4 7 0 105 243.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-hydroxy-1-[(2R)-morpholine-2-carbonyl]pyrrolidine-2-carboxamide (2R,4S)-4-hydroxy-1-[(2R)-morpho…

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) -2.30 -3.48 -61.09 5 7 1 109 244.271 2 ↓
Mid Mid (pH 6-8) -2.30 -4.84 -21.03 4 7 0 105 243.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[(2S)-morpholine-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(2S)-morpholine…

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) -1.08 3.36 -90.26 2 6 0 86 242.275 2 ↓
Hi High (pH 8-9.5) -1.08 2 -53.73 1 6 -1 82 241.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[(2S)-morpholine-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(2S)-morpholine…

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) -1.08 3.48 -70.12 2 6 0 86 242.275 2 ↓
Hi High (pH 8-9.5) -1.08 2.11 -49.11 1 6 -1 82 241.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[(2R)-morpholine-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(2R)-morpholine…

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) -1.08 3.4 -67.64 2 6 0 86 242.275 2 ↓
Hi High (pH 8-9.5) -1.08 2.03 -44.73 1 6 -1 82 241.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[(2R)-morpholine-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(2R)-morpholine…

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) -1.08 3.44 -92.12 2 6 0 86 242.275 2 ↓
Hi High (pH 8-9.5) -1.08 2.07 -58.05 1 6 -1 82 241.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(2S)-morpholine-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2S)-morpholine-…

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) -0.74 4.04 -67.12 2 6 0 86 256.302 3 ↓
Hi High (pH 8-9.5) -0.74 2.68 -43.72 1 6 -1 82 255.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(2S)-morpholine-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2S)-morpholine-…

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) -0.74 3.96 -68.82 2 6 0 86 256.302 3 ↓
Hi High (pH 8-9.5) -0.74 2.61 -48.08 1 6 -1 82 255.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(2R)-morpholine-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2R)-morpholine-…

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) -0.74 4.03 -77.09 2 6 0 86 256.302 3 ↓
Hi High (pH 8-9.5) -0.74 2.66 -48.82 1 6 -1 82 255.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(2R)-morpholine-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2R)-morpholine-…

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) -0.74 3.94 -91.24 2 6 0 86 256.302 3 ↓
Hi High (pH 8-9.5) -0.74 2.57 -57.38 1 6 -1 82 255.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2S)-morpholine-2-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2S)-morpholine-2-carbon…

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) -0.18 4.82 -67.19 2 6 0 86 270.329 4 ↓
Hi High (pH 8-9.5) -0.18 3.45 -43.97 1 6 -1 82 269.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2S)-morpholine-2-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-morpholine-2-carbon…

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) -0.18 4.72 -68.88 2 6 0 86 270.329 4 ↓
Hi High (pH 8-9.5) -0.18 3.36 -48.39 1 6 -1 82 269.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2R)-morpholine-2-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2R)-morpholine-2-carbon…

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) -0.18 4.79 -77.16 2 6 0 86 270.329 4 ↓
Hi High (pH 8-9.5) -0.18 3.43 -49.12 1 6 -1 82 269.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2R)-morpholine-2-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2R)-morpholine-2-carbon…

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) -0.18 4.69 -91.52 2 6 0 86 270.329 4 ↓
Hi High (pH 8-9.5) -0.18 3.32 -57.7 1 6 -1 82 269.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone [(3R)-3-(dimethylamino)pyrrolidi…

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) -0.92 3.55 -102.53 3 5 2 51 229.324 2 ↓
Hi High (pH 8-9.5) -0.92 -0.23 -10.67 1 5 0 45 227.308 2 ↓
Mid Mid (pH 6-8) -0.92 2.19 -45.64 2 5 1 46 228.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone [(3S)-3-(dimethylamino)pyrrolidi…

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) -0.92 3.54 -117.13 3 5 2 51 229.324 2 ↓
Hi High (pH 8-9.5) -0.92 -0.23 -9.47 1 5 0 45 227.308 2 ↓
Mid Mid (pH 6-8) -0.92 2.18 -50.84 2 5 1 46 228.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[(2R)-morpholin-2-yl]methanone [(3R)-3-(dimethylamino)pyrrolidi…

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) -0.92 3.51 -117.63 3 5 2 51 229.324 2 ↓
Hi High (pH 8-9.5) -0.92 -0.23 -10.36 1 5 0 45 227.308 2 ↓
Mid Mid (pH 6-8) -0.92 2.16 -52.68 2 5 1 46 228.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[(2R)-morpholin-2-yl]methanone [(3S)-3-(dimethylamino)pyrrolidi…

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) -0.92 3.54 -102.34 3 5 2 51 229.324 2 ↓
Hi High (pH 8-9.5) -0.92 -0.24 -11.5 1 5 0 45 227.308 2 ↓
Mid Mid (pH 6-8) -0.92 2.16 -46.55 2 5 1 46 228.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(diethylamino)pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone [(3R)-3-(diethylamino)pyrrolidin…

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) -0.17 4.61 -101.53 3 5 2 51 257.378 4 ↓
Hi High (pH 8-9.5) -0.17 1.13 -10.51 1 5 0 45 255.362 4 ↓
Mid Mid (pH 6-8) -0.17 3.26 -43.45 2 5 1 46 256.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(diethylamino)pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone [(3S)-3-(diethylamino)pyrrolidin…

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) -0.17 4.56 -115.98 3 5 2 51 257.378 4 ↓
Hi High (pH 8-9.5) -0.17 1.02 -9.16 1 5 0 45 255.362 4 ↓
Mid Mid (pH 6-8) -0.17 3.2 -48.48 2 5 1 46 256.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(diethylamino)pyrrolidin-1-yl]-[(2R)-morpholin-2-yl]methanone [(3R)-3-(diethylamino)pyrrolidin…

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) -0.17 4.55 -116.78 3 5 2 51 257.378 4 ↓
Hi High (pH 8-9.5) -0.17 1.04 -9.96 1 5 0 45 255.362 4 ↓
Mid Mid (pH 6-8) -0.17 3.21 -50.24 2 5 1 46 256.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(diethylamino)pyrrolidin-1-yl]-[(2R)-morpholin-2-yl]methanone [(3S)-3-(diethylamino)pyrrolidin…

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) -0.17 4.56 -101.25 3 5 2 51 257.378 4 ↓
Hi High (pH 8-9.5) -0.17 1.03 -11.11 1 5 0 45 255.362 4 ↓
Mid Mid (pH 6-8) -0.17 3.19 -44.42 2 5 1 46 256.37 4 ↓

Parameters Provided:

ring.id = 243221
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 = 243221 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=243221&filter.purchasability=annotated

Embed Link to Results