UCSF

ZINC65497205

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 29 No

Popular Name: (5R)-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-methyl-6-oxo-1-phenyl-4,5-dihydro-1,2,4-tr (5R)-N-[(2R)-2-(dimethylamino)-2…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.12 8.36 -51.62 3 7 1 78 398.462 6 ↓
Mid Mid (pH 6-8) 2.12 5.79 -10.61 2 7 0 77 397.454 6 ↓

Activity (Go SEA)

Rings

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

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