UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-diphenethyl-2H-imidazole 1,3-diphenethyl-2H-imidazole

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) -0.31 10.58 -37.43 0 2 1 6 279.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-5-thioxo-2,3-dihydro-1H-imidazo[5,1-f]pyrimidin-7-one 6-methyl-5-thioxo-2,3-dihydro-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) -0.55 2.45 -12.75 1 4 0 39 183.236 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4,5-diphenyl-2,3-dihydro-1H-imidazol-2-yl)pyridine 4-(4,5-diphenyl-2,3-dihydro-1H-i…

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) 3.35 5.34 -6.29 1 3 0 37 299.377 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-hydroxy-2,4,5-trimethyl-1-nitro-imidazol-2-yl]methyl [(2R,5S)-5-hydroxy-2,4,5-trimeth…

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 2.67 -16.26 1 8 0 108 307.306 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-5-hydroxy-2,4,5-trimethyl-1-nitro-imidazol-2-yl]methyl [(2S,5S)-5-hydroxy-2,4,5-trimeth…

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 2.63 -15.23 1 8 0 108 307.306 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-hydroxy-2,4,5-trimethyl-1-nitro-imidazol-2-yl]methyl [(2R,5R)-5-hydroxy-2,4,5-trimeth…

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 2.79 -15.24 1 8 0 108 307.306 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-hydroxy-2,4,5-trimethyl-1-nitro-imidazol-2-yl]methyl [(2S,5R)-5-hydroxy-2,4,5-trimeth…

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 2.75 -16.42 1 8 0 108 307.306 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4R)-2-hydroxy-2,4,5-trimethyl-3-nitro-imidazol-4-yl]methyl [(2R,4R)-2-hydroxy-2,4,5-trimeth…

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 -1.02 -14.69 2 9 0 120 322.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4R)-2-hydroxy-2,4,5-trimethyl-3-nitro-imidazol-4-yl]methyl [(2S,4R)-2-hydroxy-2,4,5-trimeth…

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 -1.02 -13.62 2 9 0 120 322.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-2-hydroxy-2,4,5-trimethyl-3-nitro-imidazol-4-yl]methyl [(2R,4S)-2-hydroxy-2,4,5-trimeth…

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 -0.97 -13.61 2 9 0 120 322.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-2-hydroxy-2,4,5-trimethyl-3-nitro-imidazol-4-yl]methyl [(2S,4S)-2-hydroxy-2,4,5-trimeth…

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 -0.97 -14.66 2 9 0 120 322.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1-BLAH-2,2,5,5-tetramethyl-imidazol-4-yl)-1H-tetrazole 5-(1-BLAH-2,2,5,5-tetramethyl-im…

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) -0.67 -2.99 -36.9 1 7 -1 89 209.233 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-4-(4-fluorophenyl)-5-(4-pyridyl)-2,3-dihydro-1H-imidazol-2-yl]phenol 4-[(2R)-4-(4-fluorophenyl)-5-(4-…

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) 3.04 3.86 -9.3 2 4 0 58 333.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-4-(4-fluorophenyl)-5-(4-pyridyl)-2,3-dihydro-1H-imidazol-2-yl]phenol 4-[(2S)-4-(4-fluorophenyl)-5-(4-…

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) 3.04 3.93 -9.57 2 4 0 58 333.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate ethyl 5-pyrrolidin-1-yl-1,8a-dih…

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) 0.75 6.27 -5.14 0 5 0 45 261.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate ethyl 5-pyrrolidin-1-yl-1,8a-dih…

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) 0.75 6.27 -5.12 0 5 0 45 261.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-Bis(1-adamantyl)imidazol-2-yldiene 1,3-Bis(1-adamantyl)imidazol-2-y…

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) 1.93 10.53 -30.92 0 2 1 6 339.547 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS)-2-[(3S)-5-tert-butyl-3H-pyrazol-3-yl]-7,7-dimethyl-2,3,3a,5,6,8-hexahydroimidazo[4,5-c]azep (2S,3aS)-2-[(3S)-5-tert-butyl-3H…

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 -0.99 -12.59 2 6 0 78 303.41 2 ↓
Lo Low (pH 4.5-6) 2.30 -0.09 -41.96 3 6 1 80 304.418 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,8aR)-3-(4-bromo-2-thienyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (3R,8aR)-3-(4-bromo-2-thienyl)-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) 2.60 2.26 -29.16 1 3 0 40 301.209 1 ↓
Hi High (pH 8-9.5) 2.41 2.61 -6.14 1 3 0 32 301.209 1 ↓
Lo Low (pH 4.5-6) 2.41 4.83 -39.57 2 3 1 34 302.217 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,8aR)-3-(4-bromo-2-thienyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (3S,8aR)-3-(4-bromo-2-thienyl)-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) 2.60 2.68 -30.86 1 3 0 40 301.209 1 ↓
Hi High (pH 8-9.5) 2.41 3.05 -6.68 1 3 0 32 301.209 1 ↓
Lo Low (pH 4.5-6) 2.41 5.23 -40.35 2 3 1 34 302.217 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,8aS)-3-(4-bromo-2-thienyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (3R,8aS)-3-(4-bromo-2-thienyl)-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) 2.60 2.66 -30.96 1 3 0 40 301.209 1 ↓
Hi High (pH 8-9.5) 2.41 3.03 -6.76 1 3 0 32 301.209 1 ↓
Lo Low (pH 4.5-6) 2.41 5.23 -40.4 2 3 1 34 302.217 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,8aS)-3-(4-bromo-2-thienyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (3S,8aS)-3-(4-bromo-2-thienyl)-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) 2.60 2.24 -29.21 1 3 0 40 301.209 1 ↓
Hi High (pH 8-9.5) 2.41 2.58 -6.17 1 3 0 32 301.209 1 ↓
Lo Low (pH 4.5-6) 2.41 4.8 -39.57 2 3 1 34 302.217 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-bromophenyl)-N-[3-[(2R)-2-phenyl-2H-imidazol-1-yl]propyl]-3,4-dihydro-2H-1,5-naphthyridine-1-ca 6-(4-bromophenyl)-N-[3-[(2R)-2-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) 1.24 10.31 -26.74 1 6 0 62 518.459 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-bromophenyl)-N-[3-[(2S)-2-phenyl-2H-imidazol-1-yl]propyl]-3,4-dihydro-2H-1,5-naphthyridine-1-ca 6-(4-bromophenyl)-N-[3-[(2S)-2-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) 1.24 9.86 -26.35 1 6 0 62 518.459 6 ↓

Analogs

26397120
26397120

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,7aS)-2-[2-methoxy-4-[(S)-methylsulfinyl]phenyl]-2,7a-dihydro-1H-imidazo[4,5-c]pyridine (2R,7aS)-2-[2-methoxy-4-[(S)-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) 0.18 0.09 -53.26 2 5 1 65 290.368 3 ↓
Mid Mid (pH 6-8) 0.18 -0.35 -16.25 1 5 0 63 289.36 3 ↓

Analogs

26397120
26397120

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,7aS)-2-[2-methoxy-4-[(S)-methylsulfinyl]phenyl]-2,7a-dihydro-1H-imidazo[4,5-c]pyridine (2S,7aS)-2-[2-methoxy-4-[(S)-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) 0.18 1.12 -49.6 2 5 1 65 290.368 3 ↓
Mid Mid (pH 6-8) 0.18 0.68 -17.67 1 5 0 63 289.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,2,3-trimethyl-4,5-diphenyl-4H-imidazole (4S)-2,2,3-trimethyl-4,5-dipheny…

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) 3.00 6.26 -4.28 0 2 0 16 264.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2,2,3-trimethyl-4,5-diphenyl-4H-imidazole (4R)-2,2,3-trimethyl-4,5-dipheny…

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) 3.00 5.56 -3.96 0 2 0 16 264.372 2 ↓

Parameters Provided:

ring.id = 2467
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 = 2467 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2467&filter.purchasability=annotated

Embed Link to Results