UCSF

ZINC06613662

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 10 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) -0.91 -0.2 -37.74 3 4 0 77 145.158 2
Hi High (pH 8-9.5) -0.91 -1.46 -44.57 2 4 -1 72 144.15 2

Activity (Go SEA)

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