UCSF

ZINC05076409

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.54 15.17 -17.58 0 9 0 93 403.483 8
Mid Mid (pH 6-8) 3.54 15.65 -37.83 1 9 1 94 404.491 8

Activity (Go SEA)

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