UCSF

ZINC35720530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 18 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) 1.70 6.8 -48.05 1 4 -1 69 248.302 4
Mid Mid (pH 6-8) 1.70 5.05 -13.32 2 4 0 66 249.31 4

Activity (Go SEA)

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