UCSF

ZINC34667644

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 3.23 9.57 -15.48 1 6 0 66 400.91 5
Mid Mid (pH 6-8) 3.23 9.91 -44.36 2 6 1 67 401.918 5

Activity (Go SEA)

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