UCSF

ZINC19268314

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 19 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) 2.67 2.95 -13.9 4 4 0 75 276.723 2
Mid Mid (pH 6-8) 2.67 3.62 -45.79 3 4 -1 78 275.715 2

Activity (Go SEA)

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