UCSF

ZINC09424360

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 35 No

Popular Name: 1-benzyl-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(3-nitrophenyl)-5H-py 1-benzyl-4-(2,5-dioxabicyclo[4.4…

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) 3.22 10.53 -55.55 0 9 -1 125 471.445 6 ↓
Mid Mid (pH 6-8) 3.67 9.47 -28.39 1 9 0 122 472.453 5 ↓
Mid Mid (pH 6-8) 2.64 -0.21 -24.39 0 9 0 118 472.453 6 ↓

Activity (Go SEA)

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