UCSF

ZINC54700160

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 16 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) -0.32 4.07 -44.88 4 4 1 69 255.392 5
Hi High (pH 8-9.5) -0.32 3.77 -7.43 3 4 0 68 254.384 5

Activity (Go SEA)

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

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