UCSF

ZINC09066663

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 33 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) 3.73 10.87 -59.93 0 8 -1 113 465.507 7
Mid Mid (pH 6-8) 4.17 10.85 -22.94 1 8 0 110 466.515 6

Activity (Go SEA)

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