UCSF

ZINC19257211

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 18 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) 0.06 -0.07 -12.67 3 5 0 68 249.314 4
Mid Mid (pH 6-8) 0.06 2.27 -47.39 4 5 1 69 250.322 4

Activity (Go SEA)

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