UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[[(1R)-indan-1-yl]-prop-2-ynyl-amino]propyl]imidazolidine-2,4-dione 3-[3-[[(1R)-indan-1-yl]-prop-2-y…

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) 1.48 5.47 -11.88 1 5 0 53 311.385 6 ↓
Mid Mid (pH 6-8) 1.48 7.6 -37.91 2 5 1 54 312.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[[(1S)-indan-1-yl]-prop-2-ynyl-amino]propyl]imidazolidine-2,4-dione 3-[3-[[(1S)-indan-1-yl]-prop-2-y…

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) 1.48 5.7 -11.8 1 5 0 53 311.385 6 ↓
Mid Mid (pH 6-8) 1.48 7.76 -39.13 2 5 1 54 312.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[[(1R)-indan-1-yl]-methyl-amino]propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[3-[[(1R)-indan-1-yl]-methyl-a…

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) 2.13 8.04 -38.36 2 5 1 54 316.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[[(1S)-indan-1-yl]-methyl-amino]propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[3-[[(1S)-indan-1-yl]-methyl-a…

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) 2.13 7.97 -39.62 2 5 1 54 316.425 5 ↓

Parameters Provided:

ring.id = 288364
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 = 288364 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=288364&filter.purchasability=annotated

Embed Link to Results