UCSF

ZINC06484012

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 22 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) 2.51 0.77 -16.33 3 6 0 100 300.266 2
Hi High (pH 8-9.5) 2.51 1.46 -64.54 2 6 -1 103 299.258 2

Activity (Go SEA)

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