UCSF

ZINC34674636

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 18 Yes

Popular Name: 4-[(1S)-2-[ethyl(isobutyl)amino]-1-hydroxy-ethyl]benzonitrile 4-[(1S)-2-[ethyl(isobutyl)amino]…

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) 2.41 7.33 -43.7 2 3 1 48 247.362 6 ↓

Activity (Go SEA)

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