UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13011237
13011237
13011238
13011238
13011239
13011239
9533421
9533421

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-chlorophenyl)sulfonylamino]-3-(1H-indol-3-yl)-N-[(1R)-1-methylbutyl]propanamide (2R)-2-[(4-chlorophenyl)sulfonyl…

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) 4.50 7.55 -16.72 3 6 0 91 447.988 9 ↓

Analogs

13011238
13011238
13011239
13011239
13011235
13011235
9533421
9533421

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-chlorophenyl)sulfonylamino]-3-(1H-indol-3-yl)-N-[(1S)-1-methylbutyl]propanamide (2R)-2-[(4-chlorophenyl)sulfonyl…

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) 4.50 7.57 -16.69 3 6 0 91 447.988 9 ↓

Analogs

13011239
13011239
13011235
13011235
13011237
13011237
9533421
9533421

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-(1H-indol-3-yl)-N-[(1R)-1-methylbutyl]propanamide (2S)-2-[(4-chlorophenyl)sulfonyl…

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) 4.50 7.76 -11.17 3 6 0 91 447.988 9 ↓

Analogs

13011235
13011235
13011237
13011237
13011238
13011238

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-(1H-indol-3-yl)-N-[(1S)-1-methylbutyl]propanamide (2S)-2-[(4-chlorophenyl)sulfonyl…

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) 4.50 7.72 -16.51 3 6 0 91 447.988 9 ↓

Parameters Provided:

ring.id = 37968
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 = 37968 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=37968&filter.purchasability=annotated

Embed Link to Results