UCSF

ZINC49372165

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 No

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) -0.18 3.76 -11.61 1 6 0 76 254.286 6
Mid Mid (pH 6-8) -0.18 4.77 -47.72 2 6 1 80 255.294 6

Activity (Go SEA)

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

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