UCSF

ZINC05551000

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 25 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) 4.87 7.63 -13.78 1 5 0 60 374.849 5
Mid Mid (pH 6-8) 4.87 7.17 -43.02 0 5 -1 63 373.841 5

Activity (Go SEA)

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