UCSF

ZINC48069167

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2010 14 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) -0.49 -0.64 -43.27 5 5 1 91 202.278 8
Hi High (pH 8-9.5) -0.49 -2.63 -12.91 4 5 0 89 201.27 8

Activity (Go SEA)

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