UCSF

ZINC17992721

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 30 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) 5.63 12.96 -12.72 0 4 0 51 395.458 2
Ref Reference (pH 7) 5.63 13.42 -14.62 0 4 0 51 395.458 2

Activity (Go SEA)

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

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