UCSF

ZINC06624494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 4.42 11.11 -49.9 2 6 1 74 414.485 5
Mid Mid (pH 6-8) 4.42 10.68 -18.95 1 6 0 73 413.477 5

Activity (Go SEA)

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