UCSF

ZINC30913391

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 27 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) 3.27 10.3 -47.76 1 6 1 60 404.796 6
Mid Mid (pH 6-8) 3.27 8.08 -7.83 0 6 0 59 403.788 6

Activity (Go SEA)

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