UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4320397
4320397
2190400
2190400

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-3-benzyl-3a-[(Z)-2-(4-methoxyphenyl)vinyl]-4,4-dimethyl-1H-imidazo[1,2-a]indol-2-one (3aR)-3-benzyl-3a-[(Z)-2-(4-meth…

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) 6.07 3.49 -10.86 0 4 0 33 424.544 5 ↓

Analogs

5180351
5180351

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-3a-[(E)-2-(2-fluorophenyl)vinyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (3aR)-3a-[(E)-2-(2-fluorophenyl)…

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) 4.30 -0.68 -9.74 1 3 0 32 322.383 2 ↓

Analogs

540185
540185
2127132
2127132
2296529
2296529
2398709
2398709
2398710
2398710

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS)-4,4,6-trimethyl-3a-[(E)-2-(p-tolyl)vinyl]-1,3-dihydroimidazo[1,2-a]indol-2-one (3aS)-4,4,6-trimethyl-3a-[(E)-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) 5.24 -0.76 -7.16 1 3 0 32 332.447 2 ↓

Analogs

5377565
5377565

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-thienyl)vinyl]-1,3-dihydroimidazo[1,2-a]indol-2-one (3aR)-4,4,6-trimethyl-3a-[(E)-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) 4.51 -2.32 -6.91 1 3 0 32 324.449 2 ↓

Analogs

1086444
1086444
2114052
2114052
2114054
2114054
2296529
2296529
4000111
4000111

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS)-4,4,6-trimethyl-3a-[(E)-styryl]-1,3-dihydroimidazo[1,2-a]indol-2-one (3aS)-4,4,6-trimethyl-3a-[(E)-st…

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) 4.79 -1.09 -7.18 1 3 0 32 318.42 2 ↓

Analogs

2115777
2115777
2115778
2115778
4000196
4000196

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-3a-[(E)-2-(3-methoxyphenyl)vinyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (3aR)-3a-[(E)-2-(3-methoxyphenyl…

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) 4.83 -1.03 -9.11 1 4 0 41 348.446 3 ↓

Analogs

5162310
5162310

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-3a-[(E)-2-(3-methoxyphenyl)vinyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (3aR)-3a-[(E)-2-(3-methoxyphenyl…

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) 4.40 -1.35 -9.18 1 4 0 41 334.419 3 ↓

Analogs

2125031
2125031
2125033
2125033
4000142
4000142

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-3a-[(E)-2-(2-furyl)vinyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (3aR)-3a-[(E)-2-(2-furyl)vinyl]-…

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) 3.87 -0.59 -7.76 1 4 0 45 308.381 2 ↓

Analogs

2212818
2212818

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-3a-[(E)-2-(2-fluorophenyl)vinyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (3aR)-3a-[(E)-2-(2-fluorophenyl)…

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) 4.73 -0.79 -8.25 1 3 0 32 336.41 2 ↓

Analogs

5164868
5164868

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-4,4-dimethyl-3a-[(E)-2-(2-nitrophenyl)vinyl]-1,3-dihydroimidazo[1,2-a]indol-2-one (3aR)-4,4-dimethyl-3a-[(E)-2-(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) 4.10 -0.89 -15.4 1 6 0 78 349.39 3 ↓

Parameters Provided:

ring.id = 101260
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 = 101260 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=101260&filter.purchasability=annotated

Embed Link to Results