UCSF

ZINC37113494

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.60 1.01 -7.9 1 5 0 53 249.38 5
Mid Mid (pH 6-8) 0.60 1.9 -52.27 2 5 1 57 250.388 5

Activity (Go SEA)

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