UCSF

ZINC28766169

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 18 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) 0.36 7.74 -68.9 0 4 -1 62 248.233 2
Mid Mid (pH 6-8) 0.36 6.65 -42.86 1 4 0 65 249.241 2

Activity (Go SEA)

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