UCSF

ZINC04927876

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 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) 4.41 9.39 -12.21 2 5 0 67 413.518 9
Mid Mid (pH 6-8) 4.41 9.81 -40.11 3 5 1 68 414.526 9

Activity (Go SEA)

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