UCSF

ZINC17998173

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 11 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) -0.65 2.07 -52.6 2 5 1 60 154.197 3
Hi High (pH 8-9.5) -0.65 0.64 -8.89 1 5 0 56 153.189 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.