UCSF

ZINC19267717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 16 No

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) 1.14 1.57 -9.68 1 4 0 42 293.205 5
Mid Mid (pH 6-8) 1.14 3.91 -45.57 2 4 1 43 294.213 5

Activity (Go SEA)

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