UCSF

ZINC05839988

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 9 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) -0.60 0.2 -122.57 6 2 2 55 130.235 2
Mid Mid (pH 6-8) -0.60 -0.13 -37.43 5 2 1 54 129.227 2

Activity (Go SEA)

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