UCSF

ZINC06620904

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 30 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) 3.02 7.89 -64.66 0 7 -1 92 412.462 10
Mid Mid (pH 6-8) 3.02 0.39 -16.78 1 7 0 89 413.47 10
Mid Mid (pH 6-8) 2.44 0.25 -26.69 0 7 0 86 413.47 10

Activity (Go SEA)

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