UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35497304
35497304

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-cyclopropyl(methylamino)methyl]-1-methyl-indolin-2-one 5-[(R)-cyclopropyl(methylamino)m…

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) 1.94 6.93 -47.42 2 3 1 37 231.319 3 ↓

Analogs

35497303
35497303

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-cyclopropyl(methylamino)methyl]-1-methyl-indolin-2-one 5-[(S)-cyclopropyl(methylamino)m…

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) 1.94 7.28 -47.7 2 3 1 37 231.319 3 ↓

Analogs

35497361
35497361
35497363
35497363
35497365
35497365

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[(S)-methylamino-[(1S,2R)-2-methylcyclopropyl]methyl]indolin-2-one 1-methyl-5-[(S)-methylamino-[(1S…

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) 2.55 6.9 -48.54 2 3 1 37 245.346 3 ↓

Analogs

35497363
35497363
35497365
35497365
35497359
35497359

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[(S)-methylamino-[(1S,2S)-2-methylcyclopropyl]methyl]indolin-2-one 1-methyl-5-[(S)-methylamino-[(1S…

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) 2.55 7.6 -47.9 2 3 1 37 245.346 3 ↓

Analogs

35497365
35497365
35497359
35497359
35497361
35497361

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[(S)-methylamino-[(1R,2R)-2-methylcyclopropyl]methyl]indolin-2-one 1-methyl-5-[(S)-methylamino-[(1R…

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) 2.55 7.94 -48.62 2 3 1 37 245.346 3 ↓

Analogs

35497359
35497359
35497361
35497361
35497363
35497363

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[(S)-methylamino-[(1R,2S)-2-methylcyclopropyl]methyl]indolin-2-one 1-methyl-5-[(S)-methylamino-[(1R…

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) 2.55 7.1 -48.35 2 3 1 37 245.346 3 ↓

Parameters Provided:

ring.id = 17242
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 = 17242 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=17242&filter.purchasability=annotated

Embed Link to Results