UCSF

ZINC21720769

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 29 Yes

Popular Name: 4-[[5-[[(2R)-2-(5-ethyl-3-methyl-isoxazol-4-yl)pyrrolidin-1-yl]methyl]-2-methoxy-phenyl]methyl]morph 4-[[5-[[(2R)-2-(5-ethyl-3-methyl…

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) 2.79 9.46 -42.13 1 6 1 52 400.543 7 ↓
Lo Low (pH 4.5-6) 2.79 11.8 -95.57 2 6 2 53 401.551 7 ↓

Activity (Go SEA)

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