UCSF

ZINC05202370

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 26 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) 5.42 9.9 -9.21 0 4 0 38 412.331 3
Ref Reference (pH 7) 5.42 9.57 -10.53 0 4 0 38 412.331 3
Mid Mid (pH 6-8) 5.42 11.85 -44.87 1 4 1 39 413.339 3
Mid Mid (pH 6-8) 5.42 12.18 -44.39 1 4 1 39 413.339 3

Activity (Go SEA)

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