UCSF

ZINC09042472

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 35 No

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) 4.41 12.19 -72.15 1 7 0 83 480.605 12
Mid Mid (pH 6-8) 3.83 12.44 -45 1 7 1 77 481.613 12
Mid Mid (pH 6-8) 4.86 11.75 -43.92 2 7 1 81 481.613 11

Activity (Go SEA)

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