UCSF

ZINC55520498

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 20 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) 1.82 7.06 -8.85 0 4 0 46 283.356 3
Lo Low (pH 4.5-6) -1.65 7.86 -34.95 1 4 1 45 284.364 4

Activity (Go SEA)

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

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