UCSF

ZINC28539368

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 33 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) 5.45 11.58 -22.52 1 6 0 81 451.555 6
Mid Mid (pH 6-8) 5.52 10.68 -50.55 0 6 -1 87 450.547 6

Activity (Go SEA)

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