UCSF

ZINC09561565

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 34 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) 6.77 16.06 -12.93 0 4 0 36 469.654 4
Mid Mid (pH 6-8) 6.77 16.08 -45.79 1 4 1 38 470.662 4

Activity (Go SEA)

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