UCSF

ZINC08818000

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 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) 5.54 12.23 -58.88 0 6 -1 83 469.542 5
Mid Mid (pH 6-8) 4.96 12.46 -12.73 0 6 0 77 470.55 5
Mid Mid (pH 6-8) 5.54 12.07 -16.08 1 6 0 80 470.55 5

Activity (Go SEA)

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