UCSF

ZINC06483835

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 20 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) 2.09 -0.25 -20.73 3 6 0 100 274.228 1
Hi High (pH 8-9.5) 2.09 0.77 -63.43 2 6 -1 103 273.22 1
Hi High (pH 8-9.5) 2.09 0.54 -49.75 2 6 -1 103 273.22 1

Activity (Go SEA)

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