UCSF

ZINC23038238

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 30 No

Popular Name: 2-[[2-[[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]amino]-2-oxo-ethyl]-propyl-amino]-N-(o-tolyl)acetami 2-[[2-[[(1S)-1-(4-fluorophenyl)-…

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) 5.27 11.77 -51.41 3 5 1 63 414.545 10 ↓
Hi High (pH 8-9.5) 5.27 9.76 -18.39 2 5 0 61 413.537 10 ↓

Activity (Go SEA)

Rings

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

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