UCSF

ZINC49409887

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 31 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) 3.75 4.26 -49.77 0 9 -1 104 442.521 5
Lo Low (pH 4.5-6) 3.29 6.03 -13.27 1 9 0 101 443.529 5

Activity (Go SEA)

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

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