UCSF

ZINC05361065

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 28 No

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) 3.66 10.6 -18.67 1 7 0 76 398.85 7
Lo Low (pH 4.5-6) 3.66 11.36 -89.91 2 7 0 77 399.858 7

Activity (Go SEA)

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