UCSF

ZINC40096621

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 37 No

Popular Name: (2R)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(3-ethoxy-4-isopentyloxy-phenyl)-4-hydroxy-1-(2-h (2R)-3-(2,3-dihydro-1,4-benzodio…

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) 2.93 7.01 -65.82 1 9 -1 118 510.563 11 ↓
Lo Low (pH 4.5-6) 2.93 6.26 -20.23 2 9 0 115 511.571 11 ↓

Activity (Go SEA)

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