UCSF

ZINC06459948

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 31 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) 5.66 3.13 -11.92 1 4 0 57 474.354 5
Mid Mid (pH 6-8) 5.07 3.49 -20.1 0 4 0 54 474.354 5

Activity (Go SEA)

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