UCSF

ZINC52904395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 1.04 4.49 -7.52 3 5 0 75 290.754 4
Lo Low (pH 4.5-6) 1.04 4.69 -90.36 5 5 2 78 292.77 4
Lo Low (pH 4.5-6) 1.04 4.94 -39.08 4 5 1 76 291.762 4

Activity (Go SEA)

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

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