UCSF

ZINC21538291

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 37 Yes

Popular Name: (5R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzyl-3-(3-ethylphenyl)-5H-imidazol-4-one (5R)-2-[4-(1,3-benzodioxol-5-ylm…

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) 5.03 14.62 -14.21 1 7 0 59 497.619 7 ↓
Mid Mid (pH 6-8) 2.55 15.48 -19.92 1 7 0 68 496.611 7 ↓
Mid Mid (pH 6-8) 2.55 17.76 -72.52 2 7 1 69 497.619 7 ↓
Mid Mid (pH 6-8) 2.55 13.3 -41.41 2 7 1 69 497.619 7 ↓
Lo Low (pH 4.5-6) 5.03 16.83 -70.44 2 7 0 60 498.627 7 ↓

Activity (Go SEA)

Rings

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

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