UCSF

ZINC06783121

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 29 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) 4.43 10.79 -49.98 0 7 -1 106 413.837 7
Mid Mid (pH 6-8) 4.88 0.99 -18.84 1 7 0 103 414.845 6

Activity (Go SEA)

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