UCSF

ZINC53373233

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 28 No

Popular Name: (E)-3-[4-(2-amino-2-oxo-ethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]prop-2-enam (E)-3-[4-(2-amino-2-oxo-ethoxy)p…

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) 2.31 7.2 -55.32 4 6 1 86 386.447 9 ↓
Mid Mid (pH 6-8) 2.31 4.71 -17.79 3 6 0 85 385.439 9 ↓

Activity (Go SEA)

Rings

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

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