UCSF

ZINC09424597

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-methoxyphenyl)-1-(3-methoxy 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) 2.20 6.34 -64.88 0 8 -1 97 438.456 8 ↓
Mid Mid (pH 6-8) 2.64 5.73 -28.83 1 8 0 95 439.464 7 ↓
Mid Mid (pH 6-8) 1.61 -1.15 -22.27 0 8 0 91 439.464 8 ↓

Activity (Go SEA)

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