UCSF

ZINC49372184

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 21 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) 1.36 5.47 -9.82 1 6 0 76 296.367 6
Mid Mid (pH 6-8) 1.36 6.55 -49.6 2 6 1 80 297.375 6

Activity (Go SEA)

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

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