UCSF

ZINC69808104

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 No

Popular Name: N-[(4S)-4-ethyl-4-methyl-2,5-dioxo-imidazolidin-1-yl]-2-[[(1R)-1-methyl-2-(4-methylpyrazol-1-yl)ethy N-[(4S)-4-ethyl-4-methyl-2,5-dio…

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) 0.13 2.98 -47.3 4 9 1 113 337.404 7 ↓
Hi High (pH 8-9.5) 0.32 0.23 -58.16 2 9 -1 115 335.388 7 ↓
Mid Mid (pH 6-8) 0.13 1.77 -17.32 3 9 0 108 336.396 7 ↓

Activity (Go SEA)

Rings

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

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