UCSF

ZINC69899006

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 15 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) 0.94 0.38 -8.43 2 4 0 50 212.293 2
Mid Mid (pH 6-8) 0.94 1.56 -47.98 3 4 1 55 213.301 2

Activity (Go SEA)

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

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