UCSF

ZINC19256351

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 20 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) 0.66 3.03 -116.2 4 5 2 54 281.4 5
Mid Mid (pH 6-8) 0.66 0.55 -44.56 3 5 1 53 280.392 5

Activity (Go SEA)

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