UCSF

ZINC05122286

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 27 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) 4.62 0.97 -44.24 1 5 1 46 404.943 7

Activity (Go SEA)

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