UCSF

ZINC28227068

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 24 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) 2.87 6.5 -9.11 0 5 0 41 411.266 6
Mid Mid (pH 6-8) 2.87 8.77 -47.93 1 5 1 43 412.274 6

Activity (Go SEA)

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