UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36165891
36165891
36165893
36165893
22875758
22875758
22875764
22875764
22883814
22883814

Draw Identity 99% 90% 80% 70%

Popular Name: (2,3-dimethyl-1H-indol-5-yl)-[(2S,6R)-2,6-dimethyl-1-piperidyl]methanone (2,3-dimethyl-1H-indol-5-yl)-[(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) 3.27 8.41 -8.86 1 3 0 36 284.403 1 ↓

Analogs

36165893
36165893
36165889
36165889
22875758
22875758
22875764
22875764
22883814
22883814

Draw Identity 99% 90% 80% 70%

Popular Name: (2,3-dimethyl-1H-indol-5-yl)-[(2S,6S)-2,6-dimethyl-1-piperidyl]methanone (2,3-dimethyl-1H-indol-5-yl)-[(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) 3.27 8.7 -10.48 1 3 0 36 284.403 1 ↓

Analogs

36165889
36165889
36165891
36165891
22875758
22875758
22875764
22875764
22883814
22883814

Draw Identity 99% 90% 80% 70%

Popular Name: (2,3-dimethyl-1H-indol-5-yl)-[(2R,6R)-2,6-dimethyl-1-piperidyl]methanone (2,3-dimethyl-1H-indol-5-yl)-[(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) 3.27 8.67 -10.35 1 3 0 36 284.403 1 ↓

Analogs

32912063
32912063

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-piperidyl)-(2,3-dimethyl-1H-indol-5-yl)methanone (4-amino-1-piperidyl)-(2,3-dimet…

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) 0.97 4.86 -53.39 4 4 1 64 272.372 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,3-dimethyl1H-indole-5-carbonyl)piperidine-3-carboxylic (3R)-1-(2,3-dimethyl1H-indole-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) 1.72 7.25 -59.61 1 5 -1 76 299.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,3-dimethyl1H-indole-5-carbonyl)piperidine-3-carboxylic (3S)-1-(2,3-dimethyl1H-indole-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) 1.72 7.24 -56.91 1 5 -1 76 299.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dimethyl1H-indole-5-carbonyl)piperidine-4-carboxylic 1-(2,3-dimethyl1H-indole-5-carbo…

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 8.1 -51.48 1 5 -1 76 299.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)-2,2-dimethyl-propyl]-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxam N-[3-(dimethylamino)-2,2-dimethy…

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) 2.77 10.09 -49.15 3 6 1 70 413.586 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indol-5-yl-(4-methoxy-1-piperidyl)methanone 1H-indol-5-yl-(4-methoxy-1-piper…

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 5.48 -11.08 1 4 0 45 258.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indol-5-yl-[4-(methoxymethyl)-1-piperidyl]methanone 1H-indol-5-yl-[4-(methoxymethyl)…

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 6.18 -10.2 1 4 0 45 272.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide (3S)-1-(2,3-dimethyl-1H-indole-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) 1.21 4.25 -12 3 5 0 79 299.374 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(1H-indol-5-yl)methanone [4-(2-aminoethyl)-1-piperidyl]-(…

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 5.07 -54.31 4 4 1 64 272.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indol-5-yl-[4-[2-(methylamino)ethyl]-1-piperidyl]methanone 1H-indol-5-yl-[4-[2-(methylamino…

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 6.97 -49.45 3 4 1 53 286.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indol-5-yl-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone 1H-indol-5-yl-[(2S)-2-[2-(methyl…

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) 2.05 6.84 -38.59 3 4 1 53 286.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indol-5-yl-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone 1H-indol-5-yl-[(2R)-2-[2-(methyl…

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) 2.05 6.82 -38.56 3 4 1 53 286.399 4 ↓

Analogs

12951596
12951596

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dimethyl-1H-indole-5-carbonyl)-N,N-dimethyl-piperidine-4-carboxamide 1-(2,3-dimethyl-1H-indole-5-carb…

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) 1.38 7.53 -18.82 1 5 0 56 327.428 2 ↓

Analogs

7007423
7007423

Draw Identity 99% 90% 80% 70%

Popular Name: (2,3-dimethyl-1H-indol-5-yl)-(4-ethyl-1-piperidyl)methanone (2,3-dimethyl-1H-indol-5-yl)-(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) 3.54 8.89 -9.43 1 3 0 36 284.403 2 ↓

Parameters Provided:

ring.id = 82409
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 = 82409 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=82409&filter.purchasability=annotated

Embed Link to Results