UCSF

ZINC66138364

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 43 No

Popular Name: (4S)-3-[2-(4-ethoxyphenyl)ethyl]-4-isobutyl-1-[(1S)-1-[[(2R)-2-[[(5S)-5-isobutyl-2-thioxo-imidazolid (4S)-3-[2-(4-ethoxyphenyl)ethyl]…

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) 8.26 20.38 -64.09 2 6 1 35 631.033 16 ↓
Hi High (pH 8-9.5) 8.26 18.64 -24.15 1 6 0 34 630.025 16 ↓

Activity (Go SEA)

Rings

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