UCSF

ZINC47976196

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 15 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) 1.39 4.77 -8.63 1 4 0 45 207.277 3
Mid Mid (pH 6-8) 1.39 5.36 -30.22 2 4 1 46 208.285 3

Activity (Go SEA)

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