UCSF

ZINC25445555

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 2.02 4.39 -24.84 2 8 0 110 424.548 8
Mid Mid (pH 6-8) 2.09 3.49 -50.32 1 8 -1 117 423.54 8

Activity (Go SEA)

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