UCSF

ZINC28096785

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 30 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) 5.36 13.5 -38.96 1 5 1 44 457.929 8
Mid Mid (pH 6-8) 5.36 11 -8.36 0 5 0 43 456.921 8

Activity (Go SEA)

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