UCSF

ZINC40801301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 28 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) 1.38 5.45 -145.47 2 8 -2 139 412.375 10
Mid Mid (pH 6-8) 1.38 4.32 -49.77 3 8 -1 136 413.383 10

Activity (Go SEA)

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