UCSF

ZINC33317636

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 30 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) 4.65 13.03 -14.91 0 5 0 47 403.526 8
Mid Mid (pH 6-8) 4.65 13.5 -30.55 1 5 1 49 404.534 8

Activity (Go SEA)

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