UCSF

ZINC60119430

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 32 No

Popular Name: 2-[1-[[(2R)-2-(2,4-difluorophenoxy)propoxy]amino]propylidene]-5-[(1S,6S)-4,7-dioxabicyclo[4.1.0]hept 2-[1-[[(2R)-2-(2,4-difluoropheno…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.92 8.11 -13.01 1 7 0 86 451.466 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6107254 IBM Patent Data

Activity (Go SEA)

Rings

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

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