UCSF

ZINC06603451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 20 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) 2.05 5.77 -38.59 1 7 -1 83 339.173 7
Mid Mid (pH 6-8) 2.05 5.78 -12 2 7 0 85 340.181 7

Activity (Go SEA)

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