UCSF

ZINC65553504

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 22 No

Popular Name: (8aR)-2-[6-(diethylamino)-3-pyridyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aR)-2-[6-(diethylamino)-3-pyri…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.14 8.42 -10.12 0 6 0 57 302.378 4 ↓
Lo Low (pH 4.5-6) 2.14 7.98 -24.75 1 6 0 58 303.386 4 ↓
Lo Low (pH 4.5-6) 2.14 8.81 -25.4 1 6 1 58 303.386 4 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.