UCSF

ZINC24641123

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 26 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) 4.03 9.79 -13.51 1 5 0 56 371.868 6
Mid Mid (pH 6-8) 4.03 10.18 -39.37 2 5 1 57 372.876 6

Activity (Go SEA)

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