UCSF

ZINC06420749

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 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) 4.60 12.56 -13.78 1 4 0 58 409.485 6
Mid Mid (pH 6-8) 4.01 13.39 -23.74 0 4 0 54 409.485 6

Activity (Go SEA)

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