UCSF

ZINC11912250

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 29 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) 4.45 2.78 -52.87 1 4 1 35 403.472 6
Mid Mid (pH 6-8) 4.45 2.95 -94.37 2 4 2 36 404.48 6

Activity (Go SEA)

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