UCSF

ZINC09470915

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 35 No

Popular Name: 4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-1-(2-methoxyethyl)-5-(3-pentoxyp 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) 3.85 8.94 -63.2 0 8 -1 97 480.537 11 ↓
Mid Mid (pH 6-8) 4.29 7.85 -29.17 1 8 0 95 481.545 10 ↓
Mid Mid (pH 6-8) 3.26 8.84 -24.97 0 8 0 91 481.545 11 ↓
Mid Mid (pH 6-8) 0.90 3.87 -10.31 1 6 0 67 338.411 4 ↓
Mid Mid (pH 6-8) 0.90 5.88 -39.88 2 6 1 69 339.419 4 ↓
Mid Mid (pH 6-8) 0.90 4.61 -43.63 2 6 1 69 339.419 4 ↓

Activity (Go SEA)

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