UCSF

ZINC17352395

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) -0.57 -0.81 -8.55 5 6 0 107 150.145 0
Mid Mid (pH 6-8) -0.57 -0.49 -28.98 6 6 1 108 151.153 0
Mid Mid (pH 6-8) -0.57 -4.56 -30.54 6 6 1 108 151.153 0

Activity (Go SEA)

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

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