UCSF

ZINC59970347

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 16 Yes

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) 2.23 5.38 -38.6 2 2 1 25 224.299 2
Hi High (pH 8-9.5) 2.23 3.37 -3.9 1 2 0 23 223.291 2

Activity (Go SEA)

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