UCSF

ZINC05483837

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 29 No

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) 4.25 8.24 -61.71 1 5 -1 81 404.829 4
Mid Mid (pH 6-8) 4.70 -1.22 -19.73 2 5 0 77 405.837 3
Mid Mid (pH 6-8) 3.67 -1.14 -22.35 1 5 0 74 405.837 4

Activity (Go SEA)

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