UCSF

ZINC49163802

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 22 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) 2.59 5.87 -12.29 1 5 0 57 307.39 8
Mid Mid (pH 6-8) 2.77 4.49 -10.97 1 5 0 60 307.39 8

Activity (Go SEA)

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