UCSF

ZINC66181408

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 28 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) 5.44 13.92 -45.51 2 3 1 35 376.52 11
Hi High (pH 8-9.5) 5.44 12.57 -6.92 1 3 0 30 375.512 11

Activity (Go SEA)

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

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