UCSF

ZINC05163669

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 29 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) 5.74 8.51 -11.88 2 5 0 67 406.869 6
Hi High (pH 8-9.5) 5.74 9.28 -57.06 1 5 -1 70 405.861 6
Hi High (pH 8-9.5) 5.37 9.44 -57.24 0 5 -1 66 405.861 6
Hi High (pH 8-9.5) 5.37 9.45 -57.26 0 5 -1 66 405.861 6

Activity (Go SEA)

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