UCSF

ZINC09424598

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 34 No

Popular Name: 5-(4-bromophenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-1-phenethyl-5H 5-(4-bromophenyl)-4-(2,5-dioxabi…

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) 4.50 11.99 -58.55 0 6 -1 79 519.371 6 ↓
Mid Mid (pH 6-8) 4.95 10.62 -28.15 1 6 0 76 520.379 5 ↓
Mid Mid (pH 6-8) 3.92 -1.26 -21.95 0 6 0 72 520.379 6 ↓

Activity (Go SEA)

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