UCSF

ZINC05516149

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 17 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) 0.78 -7.36 -17.35 2 6 0 92 278.355 4
Hi High (pH 8-9.5) 0.78 -6.9 -42.1 1 6 -1 94 277.347 4
Hi High (pH 8-9.5) 0.78 -6.78 -42.56 1 6 -1 94 277.347 4
Hi High (pH 8-9.5) 0.78 -6.32 -89.91 0 6 -2 96 276.339 4

Activity (Go SEA)

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