UCSF

ZINC34865216

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 29 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) -4.46 8.61 -240.03 1 11 -3 171 412.419 9
Mid Mid (pH 6-8) -4.46 9.07 -186.19 2 11 -2 173 413.427 9

Activity (Go SEA)

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