UCSF

ZINC49557857

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 16 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) 1.54 7.24 -187.32 4 3 3 25 228.404 4
Hi High (pH 8-9.5) 1.54 4.9 -82.94 3 3 2 24 227.396 4
Hi High (pH 8-9.5) 1.54 3.67 -32.34 2 3 1 20 226.388 4

Activity (Go SEA)

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