UCSF

ZINC05125982

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 31 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) 4.99 2.35 -19.27 1 4 0 57 413.448 5
Mid Mid (pH 6-8) 4.41 2.13 -31.06 0 4 0 54 413.448 5

Activity (Go SEA)

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