UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-6-(2-thienyl)-1H-pyridine-3-carboxamide 2-oxo-N-[2-oxo-2-(prop-2-ynylami…

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) 0.95 3.64 -20.41 3 6 0 91 315.354 5 ↓
Hi High (pH 8-9.5) 1.41 1.82 -59.75 2 6 -1 94 314.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-0258 YA-0258

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) 2.06 3.95 -13.1 1 3 0 50 205.238 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-methyl-2-thienyl)-2-oxo-1H-pyridine-3-carbonitrile 6-(3-methyl-2-thienyl)-2-oxo-1H-…

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) 2.12 5.39 -14.59 1 3 0 57 216.265 1 ↓
Mid Mid (pH 6-8) 2.58 3.97 -45.34 0 3 -1 60 215.257 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-isopropyl-2-oxo-6-(2-thienyl)-…

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) 1.86 5.46 -22.17 2 4 0 62 262.334 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-N-pentyl-6-(2-thienyl)-1H-pyridine-3-carboxamide 2-oxo-N-pentyl-6-(2-thienyl)-1H-…

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) 3.13 6.97 -21.8 2 4 0 62 290.388 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-butyl-2-oxo-6-(2-thienyl)-1H-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) 2.62 6.2 -21.73 2 4 0 62 276.361 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxypropyl)-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-(3-methoxypropyl)-2-oxo-6-(2-t…

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) 1.44 4.48 -21.84 2 5 0 71 292.36 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-isopentyl-2-oxo-6-(2-thienyl)-…

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 6.7 -21.78 2 4 0 62 290.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-allyl-2-oxo-6-(2-thienyl)-1H-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) 1.83 5.21 -21.49 2 4 0 62 260.318 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-isobutyl-2-oxo-6-(2-thienyl)-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) 2.30 6.18 -21.57 2 4 0 62 276.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-N-propyl-6-(2-thienyl)-1H-pyridine-3-carboxamide 2-oxo-N-propyl-6-(2-thienyl)-1H-…

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) 2.06 5.42 -21.95 2 4 0 62 262.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide 2-oxo-6-(2-thienyl)-1H-pyridine-…

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 2.29 -22.78 3 4 0 76 220.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-methylbutyl]-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-[(1R)-1-methylbutyl]-2-oxo-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) 2.95 7.18 -21.8 2 4 0 62 290.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methylbutyl]-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-[(1S)-1-methylbutyl]-2-oxo-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) 2.95 7.18 -21.7 2 4 0 62 290.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-tert-butyl-2-oxo-6-(2-thienyl)…

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) 2.37 5.8 -21 2 4 0 62 276.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,1-dimethylpropyl)-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-(1,1-dimethylpropyl)-2-oxo-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) 2.87 6.3 -20.78 2 4 0 62 290.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-methyl-2-oxo-6-(2-thienyl)-1H-…

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) 1.18 3.82 -22.56 2 4 0 62 234.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-6-(2-thienyl)-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide 2-oxo-6-(2-thienyl)-N-(2,2,2-tri…

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) 2.11 5.07 -19.14 2 4 0 62 302.277 4 ↓
Hi High (pH 8-9.5) 2.56 3.3 -55.24 1 4 -1 65 301.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-[[2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonyl]amino]urea 1-methyl-3-[[2-oxo-6-(2-thienyl)…

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) 0.59 2.14 -27.65 4 7 0 103 292.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-ethyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-(cyanomethyl)-N-ethyl-2-oxo-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) 1.12 5.8 -16.61 1 5 0 77 287.344 4 ↓
Hi High (pH 8-9.5) 1.57 3.71 -55.5 0 5 -1 80 286.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methoxy-N-methyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-methoxy-N-methyl-2-oxo-6-(2-th…

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) 1.39 4.03 -15.68 1 5 0 62 264.306 3 ↓
Hi High (pH 8-9.5) 1.84 3.63 -57.99 0 5 -1 65 263.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromoallyl)-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-(2-bromoallyl)-2-oxo-6-(2-thie…

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) 2.29 5.82 -19.88 2 4 0 62 339.214 4 ↓
Hi High (pH 8-9.5) 2.75 4 -59.05 1 4 -1 65 338.206 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-N-methyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carboxamide N-isobutyl-N-methyl-2-oxo-6-(2-t…

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) 2.08 6.45 -16.96 1 4 0 53 290.388 4 ↓

Parameters Provided:

ring.id = 15957
filter.purchasability = annotated
page.format = targets
page.num = 1
iid = 191540506
iosrcn = axeso
iosrct = affiliate

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 = 15957 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=15957&filter.purchasability=annotated

Embed Link to Results