UCSF

ZINC39051513

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 10 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) 0.36 -0.37 -5.61 4 4 0 74 139.158 1
Mid Mid (pH 6-8) 0.36 0.12 -26.39 5 4 1 75 140.166 1

Activity (Go SEA)

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