UCSF

ZINC68892549

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 14 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) -0.02 3.71 -48.97 0 5 -1 65 197.214 4
Lo Low (pH 4.5-6) -0.02 6.2 -60.68 1 5 0 66 198.222 4

Activity (Go SEA)

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

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