UCSF

ZINC04791032

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 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) 5.73 12.64 -12.63 1 5 0 56 426.303 4
Mid Mid (pH 6-8) 5.73 13.07 -30.39 2 5 1 57 427.311 4

Activity (Go SEA)

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