UCSF

ZINC05520939

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 19 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) 2.98 3.84 -15.26 0 5 0 57 250.261 2
Lo Low (pH 4.5-6) 2.91 5.62 -25.15 2 5 1 61 251.269 1

Activity (Go SEA)

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

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