Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_4fkjefm4hbdk9kafik58rcs7b4, 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: N-[(3R)-1,1-dioxothiolan-3-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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) -1.04 -1.28 -20.86 2 6 0 96 294.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(3S)-1,1-dioxothiolan-3-yl]-5…

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) -1.04 -1.26 -20.19 2 6 0 96 294.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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 -0.51 -19.37 2 6 0 96 308.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-[(3S)-1,1-dioxothiolan-3-yl]-5…

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 -0.49 -18.59 2 6 0 96 308.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-(3-hydroxyprop-1-ynyl)-N-methyl-pyridine-3-carboxamide N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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) -1.26 0.12 -20.09 1 6 0 88 308.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-5-(3-hydroxyprop-1-ynyl)-N-methyl-pyridine-3-carboxamide N-[(3S)-1,1-dioxothiolan-3-yl]-5…

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) -1.26 0.13 -19.53 1 6 0 88 308.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(3R)-1,1-dioxothiolan…

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) -0.81 1.75 -59.61 1 7 -1 116 309.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(3S)-1,1-dioxothiolan…

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) -0.81 1.77 -58.82 1 7 -1 116 309.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(3R)-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) -1.60 -0.57 -62.9 4 6 1 104 294.356 2 ↓
Mid Mid (pH 6-8) -1.60 -0.97 -18.64 3 6 0 102 293.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(3S)-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) -1.60 -0.55 -62.23 4 6 1 104 294.356 2 ↓
Mid Mid (pH 6-8) -1.60 -0.95 -17.87 3 6 0 102 293.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(3R)-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) -1.83 0.83 -68.45 3 6 1 95 308.383 2 ↓
Mid Mid (pH 6-8) -1.83 0.42 -18.37 2 6 0 93 307.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(3S)-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) -1.83 0.84 -68.01 3 6 1 95 308.383 2 ↓
Mid Mid (pH 6-8) -1.83 0.43 -17.77 2 6 0 93 307.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-pyridine-3-carboxamide 5-bromo-N-[(3R)-1,1-dioxothiolan…

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) 0.30 3.1 -15.95 0 5 0 67 357.229 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-pyridine-3-carboxamide 5-bromo-N-[(3S)-1,1-dioxothiolan…

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) 0.30 3.11 -14.57 0 5 0 67 357.229 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide N-allyl-N-[(3R)-1,1-dioxothiolan…

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) 1.16 2.17 -14.47 0 6 0 77 378.372 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-6-methyl-N-propyl-pyridine-3-carboxamide N-[(3R)-1,1-dioxothiolan-3-yl]-6…

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) 0.12 3.57 -17.97 0 5 0 67 296.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-N-propyl-pyridine-3-carboxamide N-[(3S)-1,1-dioxothiolan-3-yl]-6…

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) 0.12 3.56 -19.41 0 5 0 67 296.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6-fluoro-pyridine-3-carboxamide N-butyl-N-[(3R)-1,1-dioxothiolan…

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) 1.13 2.98 -16.08 0 5 0 67 314.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-6-fluoro-pyridine-3-carboxamide N-butyl-N-[(3S)-1,1-dioxothiolan…

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) 1.13 3.84 -17.73 0 5 0 67 314.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-6-isobutoxy-pyridine-3-carboxamide N-[(3R)-1,1-dioxothiolan-3-yl]-6…

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) 0.93 0.85 -16.69 1 6 0 85 312.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-6-isobutoxy-pyridine-3-carboxamide N-[(3S)-1,1-dioxothiolan-3-yl]-6…

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) 0.93 0.87 -16.06 1 6 0 85 312.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-5-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide N-allyl-5-bromo-N-[(3R)-1,1-diox…

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) 0.79 2.75 -14.22 0 5 0 67 359.245 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide N-allyl-5-bromo-N-[(3S)-1,1-diox…

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) 0.79 3.4 -16.2 0 5 0 67 359.245 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(3R)-1,1-dioxothiolan-3-yl]pyridine-2,5-dicarboxamide N5-[(3R)-1,1-dioxothiolan-3-yl]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) -1.70 -3.25 -20.79 3 7 0 119 283.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(3S)-1,1-dioxothiolan-3-yl]pyridine-2,5-dicarboxamide N5-[(3S)-1,1-dioxothiolan-3-yl]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) -1.70 -3.23 -20.04 3 7 0 119 283.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(3R)-1,1-dioxothiolan-3-yl]-N5-methyl-pyridine-2,5-dicarboxamide N5-[(3R)-1,1-dioxothiolan-3-yl]-…

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 -1.84 -20.39 2 7 0 110 297.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(3S)-1,1-dioxothiolan-3-yl]-N5-methyl-pyridine-2,5-dicarboxamide N5-[(3S)-1,1-dioxothiolan-3-yl]-…

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 -1.83 -19.81 2 7 0 110 297.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]pyridine-2,5-dicarboxamide N5-[(3S)-3-methyl-1,1-dioxo-thio…

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) -1.25 -2.78 -18.9 3 7 0 119 297.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]pyridine-2,5-dicarboxamide N5-[(3R)-3-methyl-1,1-dioxo-thio…

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) -1.25 -2.75 -18.62 3 7 0 119 297.336 3 ↓

Parameters Provided:

ring.id = 2650
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 = 2650 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2650&filter.purchasability=annotated

Embed Link to Results