UCSF

ZINC05679530

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 21 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) 5.85 7.76 -8.72 1 3 0 45 276.339 2
Hi High (pH 8-9.5) 5.85 8.54 -42.63 0 3 -1 48 275.331 2

Activity (Go SEA)

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