UCSF

ZINC17113422

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 21 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) 2.92 8.33 -8.9 1 4 0 47 323.849 6
Mid Mid (pH 6-8) 2.92 8.79 -34.77 2 4 1 48 324.857 6

Activity (Go SEA)

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