UCSF

ZINC51425805

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 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) 3.77 7.25 -3.58 1 2 0 23 289.806 5
Mid Mid (pH 6-8) 3.77 9.24 -40.35 2 2 1 25 290.814 5

Activity (Go SEA)

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