UCSF

ZINC05062151

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 19 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) 4.14 8.9 -12.62 1 2 0 29 277.795 4
Mid Mid (pH 6-8) 3.94 -0.62 -41.21 1 2 1 31 278.803 3
Mid Mid (pH 6-8) 4.68 8.05 -38.56 0 2 -1 35 276.787 3

Activity (Go SEA)

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