UCSF

ZINC54894787

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) -0.42 4.04 -45.27 3 3 1 44 230.382 2
Mid Mid (pH 6-8) -0.42 3.72 -5.33 2 3 0 42 229.374 2

Activity (Go SEA)

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

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