UCSF

ZINC09070280

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 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) 4.24 11.81 -78.6 1 7 0 83 480.605 11
Mid Mid (pH 6-8) 3.66 13.02 -45.33 1 7 1 77 481.613 11

Activity (Go SEA)

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