UCSF

ZINC06067346

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 18 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) -1.67 -7.74 -14.57 4 8 0 119 260.246 2
Mid Mid (pH 6-8) -2.59 -11 -50.61 3 8 -1 126 259.238 2

Activity (Go SEA)

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