UCSF

ZINC63001085

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 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) 3.67 8.49 -7.79 1 2 0 24 254.358 2
Mid Mid (pH 6-8) 3.67 8.92 -27.27 2 2 1 26 255.366 3

Activity (Go SEA)

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

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