UCSF

ZINC09461052

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 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) 6.14 13.84 -63.81 0 6 -1 79 512.626 10
Mid Mid (pH 6-8) 6.59 12.5 -25.75 1 6 0 76 513.634 9
Mid Mid (pH 6-8) 5.56 13.48 -20.44 0 6 0 73 513.634 10

Activity (Go SEA)

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