UCSF

ZINC02721381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 24 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) 4.08 -0.24 -8.61 1 4 0 46 339.826 5
Mid Mid (pH 6-8) 0.67 -0.02 -33.14 2 4 1 48 340.834 5

Activity (Go SEA)

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