UCSF

ZINC09425220

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 32 No

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

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) 3.38 8.7 -64.44 0 7 -1 88 436.484 7 ↓
Mid Mid (pH 6-8) 3.83 7.61 -30.15 1 7 0 85 437.492 6 ↓
Mid Mid (pH 6-8) 2.80 -0.4 -22.78 0 7 0 82 437.492 7 ↓

Activity (Go SEA)

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