UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12915237
12915237
12915242
12915242

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-butanoyl-N-(BLAHylmethyl)pyrrolidine-2-carboxamide (2R)-1-butanoyl-N-(BLAHylmethyl)…

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) 3.99 12.95 -18.75 1 4 0 49 402.538 5 ↓

Analogs

12915237
12915237
12915242
12915242

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-butanoyl-N-(BLAHylmethyl)pyrrolidine-2-carboxamide (2S)-1-butanoyl-N-(BLAHylmethyl)…

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) 3.99 13.23 -18.89 1 4 0 49 402.538 5 ↓

Analogs

12915237
12915237
12915242
12915242

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-butanoyl-N-(BLAHylmethyl)pyrrolidine-2-carboxamide (2R)-1-butanoyl-N-(BLAHylmethyl)…

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) 3.99 12.95 -18.85 1 4 0 49 402.538 5 ↓

Analogs

12915237
12915237
12915242
12915242

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-butanoyl-N-(BLAHylmethyl)pyrrolidine-2-carboxamide (2S)-1-butanoyl-N-(BLAHylmethyl)…

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) 3.99 13.23 -18.69 1 4 0 49 402.538 5 ↓

Parameters Provided:

ring.id = 385977
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 = 385977 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=385977&filter.purchasability=annotated

Embed Link to Results